JANUARY

Akinsanola, A. A., C. Jung, J. Wang, and V. R. Kotamarthi. “Evaluation of Precipitation Across the Contiguous United States, Alaska, and Puerto Rico in Multi-Decadal Convection-Permitting Simulations,” Scientific Reports (January 2024), Springer Nature. doi: 10.1038/s41598-024-51714-3

Bechtel Amara, T., S. P. Smith, Z. A. Xing, S. S. Denk, A. Deshpande, A. O. Nelson, C. Simpson, E. W. DeShazer, T. F. Neiser, O. Antepara, C. M. Clark, J. Lestz, J. Colmenares, N. Tyler, P. Ding, M. Kostuk, E. D. Dart, R. Nazikian, T. Osborne, S. Williams, T. Uram, and D. Schissel. “Accelerating Discoveries at DIII-D with the Integrated Research Infrastructure,” Frontiers in Physics (January 2024), Frontiers Media SA. doi: 10.3389/fphy.2024.1524041

Cheng, D., A. N. Alexandrova, and P. Sautet. “H-Induced Restructuring on Cu(111) Triggers CO Electroreduction in an Acidic Electrolyte,” The Journal of Physical Chemistry Letters (January 2024), ACS. doi: 10.1021/acs.jpclett.3c03202

Chitty-Venkata, K. T., S. Raskar, B. Kale, F. Ferdaus, A. Tanikanti, K. Raffenetti, V. Taylor, M. Emani, and V. Vishwanath. “LLM-Inference-Bench: Inference Benchmarking of Large Language Models on AI Accelerators,” SC24-W: Workshops of the International Conference for High Performance Computing, Networking, Storage and Analysis (January 2024), Atlanta, GA, IEEE. doi: 10.1109/SCW63240.2024.00178

Dai, Z., C. Lian, J. Lafuente-Bartolome, and F. Giustino. “Excitonic Polarons and Self-Trapped Excitons from First-Principles Exciton-Phonon Couplings,” Physical Review Letters (January 2024), APS. doi: 10.1103/PhysRevLett.132.036902

Dai, Z., C. Lian, J. Lafuente-Bartolome, and F. Giustino. “Theory of Excitonic Polarons: From Models to First-Principles Calculations,” Physical Review B (January 2024), APS. doi: 10.1103/PhysRevB.109.045202

Fields, J., H. Zhu, D. Radice, J. M. Stone, W. Cook, S. Bernuzzi, and B. Daszuta. “Performance-Portable Binary Neutron Star Mergers with AthenaK,” The Astrophysical Journal Supplement Series (January 2024), IOP Publishing. doi: 10.3847/1538-4365/ad9687

Hammonds, J., S. Henke, P. R. Jemian, S. Kandel, H. Parraga L. Rebuffi, X. Shi, S. Veseli, M. Wolfman, M. Wyman, T. Zhou, R. Chard, B. Cote, W. Allcock, L. Assoufid, M. J. Cherukara, S. Kelly, A. Sandy, J. Sullivan, and N. Schwarz. “Advanced Computational Technologies for Experiment Control, Data Acquisition, and Data Analysis at the Advanced Photon Source,” Synchrotron Radiation News (January 2024), Informa UK Limited. doi: 10.1080/08940886.2023.2277136

Hirata, C. M., M. Yamamoto, K. Laliotis, E. Macbeth, M. A. Troxel, T. Zhang, K. Cao, A. Choi, J. Givans, K. Heitmann, M. Ishak, M. Jarvis, E. Kovacs, H. Long, R. Mandelbaum, A. Park, A. Porredon, C. W. Walter, and W. M. Wood-Vasey. “Simulating Image Coaddition with the Nancy Grace Roman Space Telescope - I. Simulation Methodology and General Results,” Monthly Notices of the Royal Astronomical Society (January 2024), The Royal Astronomical Society. doi: 10.1093/mnras/stae182

Huang, D., and J. M. Cole. “A Database of Thermally Activated Delayed Fluorescent Molecules Auto-Generated from Scientific Literature with ChemDataExtractor,” Scientific Data (January 2024), Springer Nature. doi: 10.1038/s41597-023-02897-3

Huang, J., J. Liu, S. Di, Y. Zhai, Z. Jian, S. Wu, K. Zhao, Z. Chen, Y. Guo, and F. Cappello. “Exploring Wavelet Transform Usages for Error-Bounded Scientific Data Compression,” 2023 IEEE International Conference on Big Data (BigData) (January 2024), Sorrento, Italy, IEEE. doi: 10.1109/bigdata59044.2023.10386386

Li, Y., F. Zhang, V.-A. Ha, Y.-C. Lin, C. Dong, Q. Gao, Z. Liu, X. Liu, S. H. Ryu, H. Kim, C. Jozwiak, A. Bostwick, K. Watanabe, T. Taniguchi, B. Kousa, X. Li, E. Rotenberg, E. Khalaf, J. A. Robinson, F. Giustino, and C.-K. Shih. “Tuning Commensurability in Twisted van der Waals Bilayers,” Nature (January 2024), Springer Nature. doi: 10.1038/s41586-023-06904-w

Li, Z., P. Chaturvedi, S. He, H. Chen, G. Singh, V. Kindratenko, E. A. Huerta, K. Kim, and R. Madduri. “FedCompass: Efficient Cross-Silo Federated Learning on Heterogeneous Client Devices Using a Computing Power-Aware Scheduler,” ICLR 2024 (January 2024), Vienna, Austria, ICLR.

Liu, J., M. Liu, J.-P. Liu, Z. Ye, Y. Wang, Y. Alexeev, J. Eisert, and L. Jiang. “Towards Provably Efficient Quantum Algorithms for Large-Scale Machine-Learning Models,” Nature Communications (January 2024), Springer Nature. doi: 10.1038/s41467-023-43957-x

Ma, B., V. Nikitin, D. Li, and T. Bicer. “Accelerated Laminographic Image Reconstruction Using GPUs,” Symposium on Electronic Imaging (January 2024), San Fransisco, CA. doi: 10.2352/EI.2024.36.12.HPCI-188

Maeno, T., A. Alekseev, F. H. B. Megino, K. De, W. Guan, E. Karavakis, A. Klimentov, T. Korchuganova, F. Lin, P. Nilsson, T. Wenaus, Z. Yang, and X. Zhao. “PanDA: Production and Distributed Analysis System,” Computing and Software for Big Science (January 2024), Springer Nature. doi: 10.1007/s41781-024-00114-3

Nguyen-Cong, K., J. T. Willman, J. M. Gonzalez, A. S. Williams, A. B. Belonoshko, S. G. Moore, A. P. Thompson, M. A. Wood, J. H. Eggert, M. Millot, L. A. Zepeda-Ruiz, and I. I. Oleynik. “Extreme Metastability of Diamond and its Transformation to the BC8 Post-Diamond Phase of Carbon,” The Journal of Physical Chemistry Letters (January 2024), ACS Publications. doi: 10.1021/acs.jpclett.3c03044

Nikolakopoulos, A., A. Lovato, and N. Rocco. “Relativistic Effects in Green’s Function Monte Carlo Calculations of Neutrino-Nucleus Scattering,” Physical Review C (January 2024), APS. doi: 10.1103/PhysRevC.109.014623

Ren, Z., S. Elhatisari, T. A. Lähde, D. Lee, and U.-G. Meißner. “Ab Initio Study of Nuclear Clustering in Hot Dilute Matter,” Physics Letters B (January 2024), Elsevier. doi: 10.1016/j.physletb.2024.138463

Roa Perdomo, D. A., R. A. Herrera Guaitero, D. Fox, H. Yviquel, S. Raskar, X. Li, and J. M. M. Diaz. “Towards Fault Tolerance and Resilience in the Sequential Codelet Model,” High Performance Computing: CARLA 2023 (January 2024), Cartagena, Colombia, Springer Nature, pp. 77-94. doi: 10.1007/978-3-031-52186-7_6

Tramm, J., B. Allen, K. Yoshii, A. Siegel, and L. Wilson. “Efficient Algorithms for Monte Carlo Particle Transport on AI Accelerator Hardware,” Computer Physics Communications (January 2024), Elsevier. doi: 10.1016/j.cpc.2023.109072

FEBRUARY

Adamson, R., P. Bryant, D. Montoya, J. Neel, E. Palmer, R. Powell, R. Prout, and P. Upton. “Creating Continuous Integration Infrastructure for Software Development on U.S. Department of Energy High-Performance Computing Systems,” Computing in Science and Engineering (February 2024), IEEE. doi: 10.1109/MCSE.2024.3362586

Baars, W. J., G. Dacome, and M. Lee. “Reynolds-Number Scaling of Wall-Pressure-Velocity Correlations in Wall-Bounded Turbulence,” Journal of Fluid Mechanics (February 2024), Cambridge University Press. doi: 10.1017/jfm.2024.46

Balaguru, K., S. S.-C. Wang, L. R. Leung, S. Hagos, B. Harrop, C.-C. Chang, S. W. Lubis, O. A. Garuba, and S. Taraphdar. “Influence of Eastern Pacific Hurricanes on the Southwest US Wildfire Environment,” Geophysical Research Letters (February 2024), John Wiley and Sons. doi: 10.1029/2023GL106774

Burrows, A., T. Wang, D. Vartanyan, and M. S. B. Coleman. “A Theory for Neutron Star and Black Hole Kicks and Induced Spins,” The Astrophysical Journal (February 2024), IOP Publishing. doi: 10.3847/1538-4357/ad2353

Cheng, S., J.-L. Lin, M. Emani, S. Raskar, S. Foreman, Z. Xie, V. Vishwanath, and M. T. Kandemir. “Thorough Characterization and Analysis of Large Transformer Model Training At-Scale,” Proceedings of the ACM on Measurement and Analysis of Computing Systems (February 2024), ACM. doi: 10.1145/3639034

Grošelj, D., H. Hakobyan, A. M. Beloborodov, L. Sironi, and A. Philippov. “Radiative Particle-in-Cell Simulations of Turbulent Comptonization in Magnetized Black-Hole Coronae,” Physical Review Letters (February 2024), APS. doi: 10.1103/PhysRevLett.132.085202

Huang, J., S. Di, X. Yu, Y. Zhai, J. Liu, Y. Huang, K. J. Raffenetti, H. Zhou, K. Zhao, Z. Chen, F. Cappello, Y. Guo, and R. Thakur. “POSTER: Optimizing Collective Communications with Error-Bounded Lossy Compression for GPU Clusters,” PPoPP ‘24: Proceedings of the 29th ACM SIGPLAN Annual Symposium on Principles and Practice of Parallel Programming (February 2024), Edinburgh, United Kingdom, ACM. doi: 10.1145/3627535.3638467

Kim, S. W., M. M. Elsayed, N. S. Nichols, T. Lakoba, J. Vanegas, C. Wexler, V. N. Kotov, and A. Del Maestro. “Atomically Thin Superfluid and Solid Phases for Atoms on Strained Graphene,” Physical Review B (February 2024), APS. doi: 10.1103/PhysRevB.109.064512

Lee, A. S., S. Elliott, H. Harb, L. Ward, I. Foster, L. Curtiss, and R. S. Assary. “Emin: A First-Principles Thermochemical Descriptor for Predicting Molecular Synthesizability,” Journal of Chemical Information and Modeling (February 2024), ACS Publications. doi: 10.1021/acs.jcim.3c01583

McCoy, A. E., M. A. Caprio, P. Maris, and P. J. Fasano. “Intruder Band Mixing in an Ab Initio Description of ¹²Be,” Physics Letters B (February 2024), Elsevier. doi: 10.1016/j.physletb.2024.138870

Meißner, U.-G., S. Shen, S. Elhatisari, and D. Lee. “Ab Initio Calculation of the Alpha-Particle Monopole Transition Form Factor,” Physical Review Letters (February 2024), APS. doi: 10.1103/PhysRevLett.132.062501

Merzari, E., V. C. Leite, J. Fang, D. Shaver, M. Min, S. Kerkemeier, P. Fischer, and A. Tomboulides. “Energy Exascale Computational Fluid Dynamics Simulations with the Spectral Element Method,” Journal of Fluids Engineering (February 2024), ASME. doi: 10.1115/1.4064659

Ohayon, B., A. Abeln, S. Bara, T. E. Cocolios, O. Eizenberg, A. Fleischmann, L. Gastaldo, C. Godinho, M. Heines, D. Hengstler, G. Hupin, P. Indelicato, K. Kirch, A. Knecht, D. Kreuzberger, J. Machado, P. Navratil, N. Paul, R. Pohl, D. Unger, S. M. Vogiatzi, K. von Schoeler, and F. Wauters. “Towards Precision Muonic X-Ray Measurements of Charge Radii of Light Nuclei,” Physics (February 2024), MDPI. doi: 10.3390/physics6010015

Park, H., X. Yan, R. Zhu, E. A. Huerta, S. Chaudhuri, D. Cooper, I. Foster, and E. Tajkhorshid. “A Generative Artificial Intelligence Framework Based on a Molecular Diffusion Model for the Design of Metal-Organic Frameworks for Carbon Capture,” Communications Chemistry (February 2024), Springer Nature. doi: 10.1038/s42004-023-01090-2

Roy, R. B., and D. Tiwari. “StarShip: Mitigating I/O Bottlenecks in Serverless Computing for Scientific Workflows,” Proceedings of the ACM on Measurement and Analysis of Computing Systems (February 2024), ACM. doi: 10.1145/3639028

Shin, H., P. Ganesh, P. R. C. Kent, A. Benali, A. Bhattacharya, H. N. Lee, O. Heinonen, and J. T. Krogel. “DFT+U and Quantum Monte Carlo Study of Electronic and Optical Properties of AgNiO₂ and AgNi_1−xCo_xO₂ Delafossite,” Physical Chemistry Chemical Physics (February 2024), Royal Society of Chemistry. doi: 10.1039/D3CP03477A

Sobczyk, J. E., B. Acharya, S. Bacca, and G. Hagen. “⁴⁰Ca Transverse Response Function from Coupled-Cluster Theory,” Physical Review C (February 2024), APS. doi: 10.1103/PhysRevC.109.025502

Wang, T., and A. Burrows. “Nucleosynthetic Analysis of Three-Dimensional Core-Collapse Supernova Simulations,” The Astrophysical Journal (February 2024), IOP Publishing. doi: 10.3847/1538-4357/ad12b8

MARCH

Annaberdiyev, A., P. Ganesh, and J. T. Krogel. “Enhanced Twist-Averaging Technique for Magnetic Metals: Applications Using Quantum Monte Carlo,” Journal of Chemical Theory and Computation (March 2024), ACS Publications. doi: 10.1021/acs.jctc.4c00058

Bhattarai, R., P. Minch, Y. Liang, S. Zhang, and T. D. Rhone. “Strain-Induced Topological Phase Transition in Ferromagnetic Janus Monolayer MnSbBiS₂Te₂,” Physical Chemistry Chemical Physics (March 2024), Royal Society of Chemistry. doi: 10.1039/D3CP05578G

Burrows, A., T. Wang, and D. Vartanyan. “Physical Correlations and Predictions Emerging from Modern Core-Collapse Supernova Theory,” The Astrophysical Journal Letters (March 2024), IOP Publishing. doi: 10.3847/2041-8213/ad319e

Carrillo-Perez, F., M. Pizurica, Y. Zheng, T. N. Nandi, R. Madduri, J. Shen, and O. Gevaert. “Generation of Synthetic Whole-Slide Image Tiles of Tumours from RNA-Sequencing Data via Cascaded Diffusion Models,” Nature Biomedical Engineering (March 2024), Springer Nature. doi: 10.1038/s41551-024-01193-8

Dominski, J., C. S. Chang, R. Hager, S. Ku, E. S. Yoon, and V. Pareil. “Neoclassical Transport of Tungsten Ion Bundles in Total-F Neoclassical Gyrokinetic Simulations of a Whole-Volume JET-Like Plasma,” Physics of Plasmas (March 2024), AIP Publishing. doi: 10.1063/5.0144509

Gao, X., A. D. Hanlon, S. Mukherjee, S. Petreczky, Q. Shi, S. Syritsyn, and Y. Zhao. “Transversity PDFs of the Proton from Lattice QCD with Physical Quark Masses,” Physical Review D (March 2024), APS. doi: 10.1103/PhysRevD.109.054506

Gnedin, N. Y. “Do Minihalos Affect Cosmic Reionization?,” The Astrophysical Journal (March 2024), IOP Publishing. doi: 10.3847/1538-4357/ad298e

Isazawa, T., and J. M. Cole. “How Beneficial Is Pretraining on a Narrow Domain-Specific Corpus for Information Extraction about Photocatalytic Water Splitting?,” Journal of Chemical Information and Modeling (March 2024), ACS Publications. doi: 10.1021/acs.jcim.4c00063

Kanwar, G. A. Lovato, N. Rocco, and M. Wagman. “Mitigating Green’s Function Monte Carlo Signal-to-Noise Problems Using Contour Deformations,” Physical Review C (March 2024), APS. doi: 10.1103/PhysRevC.109.034317

Lavroff, R.H., J. Munarriz, C. E. Dickerson, F. Munoz, and A.N. Alexandrova. “Chemical Bonding Dictates Drastic Critical Temperature Difference in Two Seemingly Identical Superconductors,” PNAS (March 2024), National Academy of Sciences. doi: 10.1073/pnas.231610112

Li, Z., S. He, P. Chaturvedi, V. Kindratenko, E. A. Huerta, K. Kim, and R. Madduri. “Secure Federated Learning Across Heterogeneous Cloud and High-Performance Computing Resources: A Case Study on Federated Fine-Tuning of LLaMA 2,” Computing in Science and Engineering (March 2024), IEEE. doi: 10.1109/MCSE.2024.3382583

Mahadevan, V., D. Lenz, I. Grindeanu, and T. Peterka. “Accelerating Optimal Power Flow with GPUs: SIMD Abstraction of Nonlinear Programs and Condensed-Space Interior-Point Methods,” Journal of Computational Science (March 2024), Elsevier. doi: 10.1016/j.jocs.2024.102268

Popov, E. L., N. J. Mecham, and I. A. Bolotnov. “Direct Numerical Simulation of Involute Channel Turbulence,” Journal of Fluids Engineering (March 2024), ASME. doi: 10.1115/1.4064496

Poths, P., S. Vargas, P. Sautet, and A. N. Alexandrova. “Thermodynamic Equilibrium versus Kinetic Trapping: Thermalization of Cluster Catalyst Ensembles Can Extend Beyond Reaction Time Scales,” ACS Catalysis (March 2024), ACS Publications. doi: 10.1021/acscatal.3c06154

Qian, Q., and T. Mallick. “Wavelet-Inspired Multiscale Graph Convolutional Recurrent Network for Traffic Forecasting,” ICASSP 2024 - 2024 IEEE International Conference on Acoustics, Speech and Signal Processing (ICASSP) (March 2024), Seoul, Republic of Korea, IEEE. doi: 10.1109/ICASSP48485.2024.10446847

Rojas, E., D. Pérez, and E. Meneses. “A Characterization of Soft-Error Sensitivity in Data-Parallel and Model-Parallel Distributed Deep Learning,” Journal of Parallel and Distributed Computing (March 2024), Elsevier. doi: 10.1016/j.jpdc.2024.104879

Shah, A. H., Z. Zhang, C. Wan, S. Wang, A. Zhang, L. Wang, A. N. Alexandrova, Y. Huang, and X. Duan. “Platinum Surface Water Orientation Dictates Hydrogen Evolution Reaction Kinetics in Alkaline Media,” Journal of the American Chemical Society (March 2024), ACS Publications. doi: 10.1021/jacs.3c12934

Tropiano, A. J., S. K. Bogner, R. J. Furnstahl, M. A. Hisham, A. Lovato, and R. B. Wiringa. “High-Resolution Momentum Distributions from Low-Resolution Wave Functions,” Physical Letters B (March 2024), Elsevier B.V. doi: 10.1016/j.physletb.2024.138591

Van den Puttelaar, R., P. Nascimento de Lima, A. B. Knudsen, C. M. Rutter, K. M. Kuntz, L. de Jonge, F. A. Escudero, D. Lieberman, A. G. Zauber, A. I. Hahn, J. M. Inadomi, and I. Lasdorp-Vogelaar. “Effectiveness and Cost-Effectiveness of Colorectal Cancer Screening with a Blood Test That Meets the Centers for Medicare and Medicaid Services Coverage Decision,” Gastroentereology (March 2024), Elsevier. doi: 10.1053/j.gastro.2024.02.012

Vivas, A., C. E. Alvarez, J. M. Monsalve Diaz, E. Hernandez, J. G. Lalinde-Pulido, and H. Castro. “Expanding Horizons: Advancing HPC Education in Colombia through CyberColombia’s Summer Schools,” Journal of Computational Science Education (March 2024), Shodor. doi: 10.22369/issn.2153-4136/15/1/4

Werner, G. R., and D. A. Uzdensky. “Electron and Proton Energization in 3D Reconnecting Current Sheets in Semirelativistic Plasma with Guide Magnetic Field,” The Astrophysical Journal Letters (March 2024), IOP Publishing. doi: 10.3847/2041-8213/ad2fa5

APRIL

Anaya, J. J., N. S. Manavi, A. A. Tropina, A. Dogariu, R. B. Miles, and M. S. Grover. “Interferometry Analysis and CARS Measurements of Nonequilibrium in Hypersonic Oxygen/Argon and Pure Oxygen Flows,” Experiments in Fluids (April 2024), Springer Nature. doi: 10.1007/s00348-024-03804-1

Arndt, D., D. Leburn-Grandie, and C. Trott. “Experiences with Implementing Kokkos’ Backend,” IWOCL ‘24: Proceedings of the 12th International Workshop on OpenCL and SYCL (April 2024), ACM. doi: 10.1145/3648115.3648118

Babcock, N. S., G. Montes-Cabrera, K. E. Oberhofer, M. Chergui, G. L. Celardo, and P. Kurian. “Ultraviolet Superradiance from Mega-Networks of Tryptophan in Biological Architectures,” The Journal of Physical Chemistry B (April 2024), ACS Publications. doi: 10.1021/acs.jpcb.3c07936

Bollweg, D., X. Gao, S. Mukherjee, and Y. Zhao. “Nonperturbative Collins-Soper Kernel from Chiral Quarks with Physical Masses,” Physics Letters B (April 2024), Elsevier. doi: 10.1016/j.physletb.2024.138617

Chang, C. S., S. Ku, R. Hager, J. Choi, D. Pugmire, S. Klasky, A. Loarte, and R. A. Pitts. “Role of Turbulent Separatrix Tangle in the Improvement of the Integrated Pedestal and Heat Exhaust Issue for Stationary-Operation Tokamak Fusion Reactors,” Nuclear Fusion (April 2024), IOP Publishing. doi: 10.1088/1741-4326/ad3b1e

Holmen, J. K., M. García, A. Bagusetty, A. Sanderson, and M. Berzins. “Making Uintah Performance Portable for Department of Energy Exascale Testbeds,” Euro-Par 2023: Parallel Processing Workshops (April 2024), Springer Nature. doi: 10.1007/978-3-031-48803-0_10

Jiang, W. “Studying the Collective Functional Response of a Receptor in Alchemical Ligand Binding Free Energy Simulations with Accelerated Solvation Layer Dynamics,” Journal of Chemical Theory and Computation (April 2024), ACS Publications. doi: 10.1021/acs.jctc.4c00191

König, K., J. C. Berengut, A. Borschevsky, A. Brinson, B. A. Brown, A. Dockery, S. Elhatisari, E. Eliav, R. F. Garcia Ruiz, J. D. Holt, B.-S. Hu, J. Karthein, D. Lee, Y.-Z. Ma, U.-G. Meißner, K. Minamisono, A. V. Oleynichenko, S. V. Pineda, S. D. Prosnyak, M. L. Reitsma, L. V. Skripnikov, A. Vernon, and A. Zaitsevskii. “Nuclear Charge Radii of Silicon Isotopes,” Physical Review Letters (April 2024), APS. doi: 10.1103/PhysRevLett.132.162502

Lauricella, G., M. M. Naderi, J. Zhou, I. Papautsky, and Z. Peng. “Bifurcation of Equilibrium Positions for Ellipsoidal Particles in Inertial Shear Flows Between Two Walls,” Journal of Fluid Mechanics (April 2024), Cambridge University Press. doi: 10.1017/jfm.2024.152

Lo, S. C. Y., J. W. S. McCullough, X. Xue, and P. V. Coveney. “Uncertainty Quantification of the Impact of Peripheral Arterial Disease on Abdominal Aortic Aneurysms in Blood Flow Simulations,” Journal of the Royal Society Interface (April 2024), The Royal Society. doi: 10.1098/rsif.2023.0656

Nichols, N. S., J. T. Childers, T. J. Burch, and L. Field. “Improving Performance Portability of the Procedurally Generated High Energy Physics Event Generator MadGraph Using SYCL,” IWOCL ‘24: Proceedings of the 12th International Workshop on OpenCL and SYCL (April 2024), Chicago, IL, ACM. doi: 10.1145/3648115.3648116

Prakash, A., R. Balin, J. A. Evans, and K. E. Jansen. “A Streamline Coordinate Analysis of a Turbulent Boundary Layer Subject to Pressure Gradients and Curvature on the Windward Side of a Bump,” Journal of Fluid Mechanics (April 2024), Cambridge University Press. doi: 10.1017/jfm.2024.199

Schwartz, J., Z. W. Di, Y. Jiang, J. Manassa, J. Pietryga, Y. Qian, M. G. Cho, J. L. Rowell, H. Zheng, R. D. Robinson, J. Gu, A. Kirlin, S. Rozeveld, P. Ercius, J. A. Fessler, T. Xu, M. Scott, and R. Hovden. “Imaging 3D Chemistry at 1 nm Resolution with Fused Multi-Modal Electron Tomography,” Nature Communications (April 2024), Springer Nature. doi: 10.1038/s41467-024-47558-0

Varughese, B., S. Manna, T. D. Loeffler, R. Batra, M. J. Cherukara, and S. K. R. S. Sankaranarayanan. “Active and Transfer Learning of High-Dimensional Neural Network Potentials for Transition Metals,” ACS Applied Materials and Interfaces (April 2024), ACS. doi: 10.1021/acsami.3c15399

Yao, Y., A. Kononov, A. Metzlaff, A. Wucher, L. Kalkhoff, L. Breuer, M. Schleberger, and A. Schleife. “Nonequilibrium Dynamics of Electron Emission from Cold and Hot Graphene Under Proton Irradiation,” Nano Letters (April 2024), ACS Publications. doi: 10.1021/acs.nanolett.4c00356

Zhang, C., F. Gygi, and G. Galli. “Charge State and Entropic Effects Affecting the Formation and Dynamics of Divacancies in 3C-SiC,” Physical Review Materials (April 2024), APS. doi: 10.1103/PhysRevMaterials.8.046201

MAY

Abbott, R., A. Botev, D. Boyda, E. C. Hackett, G. Kanwar, S. Racanière, D. J. Rezende, F. Romero-López, P. E. Shanahan, and J. M. Urban. “Applications of Flow Models to the Generation of Correlated Lattice QCD Ensembles,” Physical Review D (May 2024), APS. doi: 10.1103/PhysRevD.109.094514

Fan, K., S. Petruzza, T. Gilray, and S. Kumar. “Configurable Algorithms for All-to-All Collectives,” ISC High Performance 2024 Research Paper Proceedings (39th International Conference) (May 2024), Hamburg, Germany, IEEE. doi: 10.23919/ISC.2024.10528936

Gao, X., W.-Y. Liu, and Y. Zhao. “Parton Distributions from Boosted Fields in the Coulomb Gauge,” Physical Review D (May 2024), APS. doi: 10.1103/PhysRevD.109.094506

Grieder, A. C., K. Kim, L. F. Wan, J. Chapman, B. C. Wood, and N. Adelstein. “Effects of Nonequilibrium Atomic Structure on Ionic Diffusivity in LLZO: A Classical and Machine Learning Molecular Dynamics Study,” The Journal of Physical Chemistry C (May 2024), ACS Publications. doi: 10.1021/acs.jpcc.4c00171

Howarth, T.L., M. A. Picciani, E. S. Richardson, M. S. Day, and A. J Aspden. “Direct Numerical Simulation of a High-Pressure Hydrogen Micromix Combustor: Flame Structure and Stabilisation Mechanism,” Combustion and Flame (May 2024), Elsevier. doi: 10.1016/j.combustflame.2024.113504

Kilic, O. O., T. Wang, M. Turilli, M. Titov, A. Merzky, L. Pouchard, and S. Jha. “Workflow Mini-Apps: Portable, Scalable, Tunable, and Faithful Representations of Scientific Workflows,” CCGRID 2024 (May 2024), Philadelphia, PA, IEEE. doi: 10.48550/arXiv.2403.18073

Lee, M. “Spectral Analysis of the Correlation Between Temperature and Wall-Normal Velocity in Rayleigh-Bénard Convection at Moderate Rayleigh Numbers,” Journal of Physics: Conference Series (May 2024), vol. 2573, IOP Publishing. doi: 10.1088/1742-6596/2753/1/012006

Li, H., J. Duarte, A. Roy, R. Zhu, E. A. Huerta, D. Diaz, P. Harris, R. Kansal, D. S. Katz, I. H. Kavoori, V. V. Kindratenko, F. Mokhtar, M. S. Neubauer, S. E. M. Quinnan, R. Rusack, and Z. Zhao. “FAIR AI Models in High Energy Physics,” 26th International Conference on Computing in High Energy and Nuclear Physics (CHEP 2023) (May 2024), EDP Sciences. doi: 10.1051/epjconf/202429509017

Ma, X., F. Yan, L. Yang, I. Foster, M. E. Papka, Z. Liu, and R. Kettimuthu. “MalleTrain: Deep Neural Networks Training on Unfillable Supercomputer Nodes,” ICPE ‘24: Proceedings of the 15th ACM/SPEC International Conference on Performance Engineering (May 2024), New York, NY, ACM. doi: 10.1145/3629526.3645035

Min, M., M. Brazell, A. Tomboulides, M. Churchfield, P. Fischer, and M. Sprague. “Towards Exascale for Wind Energy Simulations,” The International Journal of High Performance Computing Applications (May 2024), SAGE Publications. doi: 10.1177/10943420241252511

Nicholson, G. L., L. Duan, and N. J. Bisek. “Direct Numerical Simulation Database of High-Speed Flow over Parameterized Curved Walls,” AIAA Journal (May 2024), AIAA. doi: 10.2514/1.J063456

Nikitin, V., G. Wildenberg, A. Mittone, P. Shevchenko, A. Deriy, and F. De Carlo. “Laminography as a Tool for Imaging Large-Size Samples with High Resolution,” Journal of Synchrotron Radiation (May 2024), Wiley-Blackwell. doi: 10.1107/S1600577524002923

Reina, G., and S. Rizzi. “PGV 2024: Frontmatter,” EGPGV24: Eurographics Symposium on Parallel Graphics and Visualization (May 2024), Odense, Denmark, Eurographics. doi: 10.2312/pgv.20242012

Sun, Y., O. Sowunmi, R. Egele, S. H. K. Narayanan, L. van Roekel, and P. Balaprakash. “Streamlining Ocean Dynamics Modeling with Fourier Neural Operators: A Multiobjective Hyperparameter and Architecture Optimization Approach,” Mathematics (May 2024), MDPI. doi: 10.3390/math12101483

Tessier, F., V. Vishwanath, and E. Jeannot. “Adding Topology and Memory Awareness in Data Aggregation Algorithms,” Future Generation Computer Systems (May 2024), Elsevier. doi: 10.1016/j.future.2024.05.016

Tiwari, S., E. Kioupakis, J. Menendez, and F. Giustino. “Unified Theory of Optical Absorption and Luminescence Including Both Direct and Phonon-Assisted Processes,” Physical Review B (May 2024), APS. doi: 10.1103/PhysRevB.109.195127

Wang, R., S. Snyder, D. Benjamin, Z. Dong, P. Gartung, and K. Herner. “Darshan for HEP Applications,” 26th International Conference on Computing in High Energy and Nuclear Physics (CHEP 2023) (May 2024), Norfolk, VA, EDP Sciences. doi: 10.1051/epjconf/202429505003

Wang, X., S. Gao, Y. Luo, X. Liu, R. Tom, K. Zhao, V. Chang, and N. Marom. “Computational Discovery of Intermolecular Singlet Fission Materials Using Many-Body Perturbation Theory,” The Journal of Physical Chemistry C (May 2024), ACS Publications. doi: 10.1021/acs.jpcc.4c01340

Zhang, Z., W. Gee, P. Sautet, and A. N. Alexandrova. “H and CO Co-Induced Roughening of Cu Surface in CO₂ Electroreduction Conditions,” Journal of the American Chemical Society (May 2024), ACS Publications. doi: 10.1021/jacs.4c03515

JUNE

Abdelfattah, A., N. Beams, R. Carson, P. Ghysels, T. Kolev, T. Stitt, A. Vargas, S. Tomov, and J. Dongarra. “MAGMA: Enabling Exascale Performance with Accelerated BLAS and LAPACK for Diverse GPU Architectures,” The International Journal of High Performance Computing Applications (June 2024), SAGE Publications. doi: 10.1177/10943420241261960

Dematties, D., S. Rizzi, and G. K. Thiruvathukal. “Containerization on a Self-Supervised Active Foveated Approach to Computer Vision,” Revista Colombiana de Computación (June 2024), UNAB. doi: 10.29375/25392115.5055

Denny, J. E., S. Lee, P. Valero-Lara, M. Gonzalez-Tallada, K. Teranishi, and J. S. Vetter. “Clacc: OpenACC for C/C++ in Clang,” The International Journal of High Performance Computing Applications (June 2024), SAGE Publications. doi: 10.1177/10943420241261976

Haberlie, A. M., B. Wallace, W. S. Ashley, V. A. Gensini, and A. C. Michaelis. “Mesoscale Convective System Activity in the United States Under Intermediate and Extreme Climate Change Scenarios,” Climatic Change (June 2024), Springer Nature. doi: 10.1007/s10584-024-03752-z

Hackett, D. C., D. A. Pefkou, and P. E. Shanahan. “Gravitational Form Factors of the Proton from Lattice QCD,” Physical Review Letters (June 2024), APS. doi: 10.1103/PhysRevLett.132.251904

Hammond, K. D., D. Maroudas, and B. D. Wirth. “Helium Aggregation and Surface Morphology Near Grain Boundaries in Plasma-Facing Tungsten,” Journal of Applied Physics (June 2024), AIP Publishing. doi: 10.1063/5.0200464

Hidayetoglu, M., S. Garcia de Gonzalo, E. Slaughter, Y. Li, C. Zimmer, T. Bicer, B. Ren, W. Gropp, W. M. Hwu, and A. Aiken. “CommBench: Micro-Benchmarking Hierarchical Networks with Multi-GPU, Multi-NIC Nodes,” ICS ‘24: Proceedings of the 38th ACM International Conference on Supercomputing (June 2024), Kyoto, Japan, ACM. doi: 10.1145/3650200.365659

Lee, M. “Direct Numerical Simulation of Magnetohydrodynamic Turbulent Flows,” 13th International Symposium on Turbulence and Shear Flow Phenomena (TSFP13) (June 2024), Montreal, Canada, TSFP Symposia.

Liu, X., D. K. Hoang, Q. A. T. Nguyen, D. D. Phuc, S.-G. Kim, P. C. Nam, A. Kumar, F. Zhang, C. Zhi, and V. Q. Bui. “Advanced Dual-Atom Catalysts on Graphitic Carbon Nitride for Enhanced Hydrogen Evolution via Water Splitting,” Nanoscale (June 2024), Royal Society of Chemistry. doi: 10.1039/D4NR01241K

Marrinan, T., E. Honzik, H. L. N. Brynteson, and M. E. Papka. “Image Synthesis from a Collection of Depth Enhanced Panoramas: Creating Interactive Extended Reality Experiences from Static Images,” IMX ‘24: Proceedings of the 2024 ACM International Conference on Interactive Media Experiences (June 2024), Stockholm, Sweden, ACM. doi: 10.1145/3639701.3656312

Nascimento de Lima, P., R. van den Puttelaar, A. B. Knudsen, A. I. Hahn, K. M. Kuntz, J. Ozik, N. Collier, F. Alarid-Escudero, A. G. Zauber, J. M. Inadomi, I. Lansdorp-Vogelaar, and C. M. Rutter. “Characteristics of a Cost-Effective Blood Test for Colorectal Cancer Screening,” Journal of the National Cancer Institute (June 2024), Oxford University Press. doi: 10.1093/jnci/djae124

Núñez, G., H. Romero-Sandí, E. Rojas, and E. Meneses. “A Study of Pipeline Parallelism in Deep Neural Networks,” Revista Colombiana de Computación (June 2024), Universidad Autonoma de Bucaramanga. doi: 10.29375/25392115.5056

Park, H., P. Patel, R. Haas, and E. A. Huerta. “APACE: AlphaFold2 and Advanced Computing as a Service for Accelerated Discovery in Biophysics,” PNAS (June 2024), National Academy of Sciences. doi: 10.1073/pnas.2311888121

Pineda-Antunez, C., C. Seguin, L. A. van Duuren, A. B. Knudsen, B. Davidi, P. Nascimento de Lima, C. Rutter, K. M. Kuntz, I. Lansdorp-Vogelaar, N. Colllier, J. Ozik, and F. Alarid-Escudero. “Emulator-Based Bayesian Calibration of the CISNET Colorectal Cancer Models,” Medical Decision Making (June 2024), Society for Medical Decision Making. doi: 10.1177/0272989X241255618

Romero-Sandí, H., G. Núñez, and E. Rojas. “A Snapshot of Parallelism in Distributed Deep Learning Training,” Revista Colombiana de Computación (June 2024), Universidad Autonoma de Bucaramanga. doi: 10.29375/25392115.5054

Salvadore, F., G. Rossi, S. Sathyanarayana, and M. Bernardini. “OpenMP Offload Toward the Exascale Using Intel® GPU Max 1550: Evaluation of STREAmS Compressible Solver,” The Journal of Supercomputing (June 2024), Springer Nature. doi: 10.1007/s11227-024-06254-y

Shevel, A. “Artificial Neural Networks in High Energy Physics Data Processing (Succinct Survey) and Probable Future Developments,” Physics of Particles and Nuclei (June 2024), Springer Nature . doi: 10.1134/S1063779624030742

Tian, M., E. A. Huerta, H. Zheng, and P. Kumar. “Physics-Inspired Spatiotemporal-Graph AI Ensemble for the Detection of Higher Order Wave Mode Signals of Spinning Binary Black Hole Mergers,” Machine Learning: Science and Technology (June 2024), IOP Publishing. doi: 10.1088/2632-2153/ad4c37

Xue, X., J. W. S. McCullough, S. C. Y. Lo, I. Zacharoudiou, B. Joó, and P. V. Coveney. “The Lattice Boltzmann Based Large Eddy Simulations for the Stenosis of the Aorta,” The International Conference on Computer Science 2024 (June 2024), Seattle, WA, Springer Nature. doi: 10.1007/978-3-031-63775-9_30

JULY

Ananthakrishnan, R., Y. Babuji, M. Baughman, J. Bryan, K. Chard, R. Chard, B. Clifford, I. Foster, D. S. Katz, K. H. Kesling, C. Janidlo, R. Mello, and L. Wang. “Enabling Remote Management of FaaS Endpoints with Globus Compute Multi-User Endpoints,” PEARC ‘24: Practice and Experience in Advanced Research Computing 2024: Human Powered Computing (July 2024), Providence, RI, ACM. doi: 10.1145/3626203.3670612

Bacchini, F., V. Zhdankin, E. A. Gorbunov, G. R. Werner, L. Arzamasskiy, M. C. Begelman, and D. A. Uzdensky. “Collisionless Magnetorotational Turbulence in Pair Plasmas: Steady-State Dynamics, Particle Acceleration, and Radiative Cooling,” Physical Review Letters (July 2024), APS. doi: 10.1103/PhysRevLett.133.045202

Baker, E., D. Bollweg, P. Boyle, I. Cloët, X. Gao, S. Mukherjee, P. Petreczky, R. Zhang, and Y. Zhao. “Lattice QCD Calculation of the Pion Distribution Amplitude with Domain Wall Fermions at Physical Pion Mass,” Journal of High Energy Physics (July 2024), Springer Nature. doi: 10.1007/JHEP07(2024)211

Barry, D., A. Danalis, and J. Dongarra, “Automated Data Analysis for Defining Performance Metrics from Raw Hardware Events,” 2024 IEEE International Parallel and Distributed Processing Symposium Workshops (IPDPSW) (July 2024), San Francisco, CA, IEEE. doi: 10.1109/IPDPSW63119.2024.00134

Bernholdt, D. E., G. Bosilca, A. Bouteiller, R. Brightwell, J. Ciesko, M. G. F. Dosanjh, G. Georgakoudis, I. Laguna, S. Levy, T. Naughton, S. L. Olivier, H. P. Pritchard, W. Schonbein, J. Schuchart, and A. Shehata. “Taking the MPI Standard and the Open MPI Library to Exascale,” The International Journal of High Performance Computing Applications (July 2024), SAGE Publications. doi: 10.1177/10943420241265936

Bouvier, T., B. Nicolae, A. Costan, T. Bicer, I. Foster, and G. Antoniu. “Efficient Distributed Continual Learning for Steering Experiments in Real-Time,” Future Generation Computer Systems (July 2024), Elsevier. doi: 10.1016/j.future.2024.07.016

Emani, M., S. Foreman, V. Sastry, Z. Xie, S. Raskar, W. Arnold, R. Thakur, V. Vishwanath, M. E. Papka, S. Shanmugavelu, D. Gandhi, H. Zhao, D. Ma, K. Ranganath, R. Weisner, J. Chen, Y. Yang, N. Vassilieva, B. C. Zhang, S. Howland, and A. Tsyplikhin. “Toward a Holistic Performance Evaluation of Large Language Models Across Diverse AI Accelerators,” 2024 IEEE International Parallel and Distributed Processing Symposium Workshops (IPDPSW) (July 2024), San Francisco, CA, IEEE. doi: 10.1109/IPDPSW63119.2024.00016

Jarrah, I., P. Pal, M. Ameen, and M. M. Joly. “Wall-Resolved LES Study of Shaped-Hole Film Cooling Flow for Varying In-Hole Surface Roughness,” AIAA Aviation Forum and Ascend 2024 (July 2024), Las Vegas, NV, AIAA. doi: 10.2514/6.2024-4262

Jiang, W., J. Yasmin, J. Jones, N. Synovic, J. Kuo, N. Bielanski, Y. Tian, G. K. Thiruvathukal, and J. C. Davis. “PeaTMOSS: A Dataset and Initial Analysis of Pre-Trained Models in Open-Source Software,” MSR ‘24: Proceedings of the 21st International Conference on Mining Software Repositories (July 2024), Lisbon, Portugal, ACM. doi: 10.1145/3643991.3644907

Kavroulakis, I., D. Papageorgiou, C. E. Frouzakis, P. Fischer, and A. Tomboulides. “Non-Conforming Schwarz-Spectral Element Method for Low Mach Number Reacting Flows,” Proceedings of the Combustion Institute (July 2024), Elsevier. doi: 10.1016/j.proci.2024.105506

Klar, P. B., D. G. Waterman, T. Gruene, D. Mullick, Y. Song, J. B. Gilchrist, C. D. Owen, W. Wen, I. Biran, L. Houben, N. Regev-Rudzki, R. Dzikowski, N. Marom, L. Palatinus, P. Zhang, L. Leiserowitz, and M. Elbaum. “Cryo-Tomography and 3D Electron Diffraction Reveal the Polar Habit and Chiral Structure of the Malaria Pigment Crystal Hemozoin,” ACS Central Science (July 2024), ACS. doi: 10.1021/acscentsci.4c00162

Krainova, N., H. M. Johnson, R. Lampande, S. Gao, N. Marom, B. P. Rand, and N. C. Giebink. “Vacuum Deposition of χ⁽²⁾ Nonlinear Organic Single Crystal Films on Silicon,” Applied Physics Letters (July 2024), AIP Publishing. doi: 10.1063/5.0207675

Lim, C., M.-S. Kim, D. C. Lim, S. Kim, Y. Lee, J. Cha, G. Lee, S. Y. Song, D. Thapa, J. D. Denlinger, S.-G. Kim, S. W. Kim, J. Seo, and Y. Kim. “Topological Fermi-Arc Surface State Covered by Floating Electrons on a Two-Dimensional Electride,” Nature Communications (July 2024), Springer Nature. doi: 10.1038/s41467-024-49841-6

Nilsson, V., A. Samaddar, S. Madireddy, and P. Nyquist. “REMEDI: Corrective Transformations for Improved Neural Entropy Estimation,” Proceedings of the 41st International Conference on Machine Learning (July 2024), vol. 235, Vienna, AT, PMLR

Palumbo, D. C. M., M. Bauböck, and C. F. Gammie. “Multifrequency Analysis of Favored Models for the Messier 87* Accretion Flow,” The Astrophysical Journal (July 2024), IOP Publishing. doi: 10.3847/1538-4357/ad5fed

Phelps, C., A. Lahiry, T. Z. Islam, and L. C. Pouchard. “Reimagine Application Performance as a Graph: Novel Graph-Based Method for Performance Anomaly Classification in High-Performance Computing,” 2024 IEEE 48th Annual Computers, Software, and Applications Conference (COMPSAC) (July 2024), Osaka, Japan, IEEE. doi: 10.1109/COMPSAC61105.2024.00041

Rahman, M. H., S. Di, S. Guo, X. Lu, G. Li, and F. Cappello. “Druto: Upper-Bounding Silent Data Corruption Vulnerability in GPU Applications,” 2024 IEEE International Parallel and Distributed Processing Symposium (IPDPS) (July 2024), San Fransisco, CA, IEEE. doi: 10.1109/IPDPS57955.2024.00058

Razahk, T. M., T. Linker, Y. Luo, R. K. Kalia, K.-I. Nomura, P. Vashishta, and A. Nakano. “Accelerating Quantum Light-Matter Dynamics on Graphics Processing Units,” 2024 IEEE International Parallel and Distributed Processing Symposium Workshops (IPDPSW) (July 2024), San Francisco, CA, IEEE. doi: 10.1109/IPDPSW63119.2024.00176

Robinson, J. P., K. Fan, S. Petruzza, T. Gilray, and S. Kumar. “Investigating Data Movement Strategies for Distribution of Repartitioned Data,” PEARC ‘24: Practice and Experience in Advanced Research Computing 2024: Human Powered Computing (July 2024), Providence, RI, ACM. doi: 10.1145/3626203.3670534

Ruggeri, M., B. L. Bemis, M. C. Sieve, C. L. Running, J. L. Hill, M. P. Borg, K. Jantze, and C. Scalo. “Hypersonic Boundary Layer Treatment with Wavy Wall,” AIAA Aviation Forum and Ascend 2024 (July 2024), Las Vegas, NV, AIAA. doi: 10.2514/6.2024-3835

Shen, R., A.-L. R. Brownless, N. Alansson, M. Corbella, S. C. L. Kamerlin, and A. C. Hengge. “SHP-1 Variants Broaden the Understanding of pH-Dependent Activities in Protein Tyrosine Phosphatases,” JACS Au (July 2024), ACS Publications. doi: 10.1021/jacsau.4c00078

Shi, Q., H. T. Ding, X. Gao, S. Mukherjee, P. Petreczky, S. Syritsyn, and Y. Zhao. “Lattice QCD Calculation of the Pion Generalized Parton Distribution,” 25th International Symposium on Spin Physics (SPIN2023) (July 2024), Durham, NC, Sissa Medialab. doi: 10.22323/1.456.0024

Vasan, A., O. Gokdemir, A. Brace, A. Ramanathan, T. Brettin, R. Stevens, and V. Vishwanath. “High Performance Binding Affinity Prediction with a Transformer-Based Surrogate Model,” 2024 IEEE International Parallel and Distributed Processing Symposium Workshops (IPDPSW) (July 2024), San Francisco, CA, IEEE. doi: 10.1109/IPDPSW63119.2024.00114

Wang, T., and A. Burrows. “Supernova Explosions of the Lowest-Mass Massive Star Progenitors,” The Astrophysical Journal (July 2024), IOP Publishing. doi: 10.3847/1538-4357/ad5009

Xie, Z., M. Emani, X. Yu, D. Tao, X. He, P. Su, K. Zhou, and V. Vishwanath. “Centimani: Enabling Fast AI Accelerator Selection for DNN Training with a Novel Performance Predictor,” USENIX ATC’24: Proceedings of the 2024 USENIX Conference on Usenix Annual Technical Conference (July 2024), USENIX Association. doi: 10.5555/3691992.3692065

Yuwono, S. H., T. Zhang, K. A. Surjuse, E. F. Valeev, X. Li, and A. E. DePrince III. “Relativistic Coupled Cluster with Completely Renormalized and Perturbative Triples Corrections,” The Journal of Physical Chemistry A (July 2024), ACS Publications. doi: 10.1021/acs.jpca.4c02583

Zhang, C. “Comet: Development of an Unstructured Mesh Direct Simulation Monte Carlo Code on GPUs,” AIAA Aviation Forum and Ascend 2024 (July 2024), Las Vegas, NV, AIAA. doi: 10.2514/6.2024-3951

Zhang, D., M. S. Raj, B. Xie, S. Di, and D. Dai. “Cross-System Analysis of Job Characterization and Scheduling in Large-Scale Computing Clusters,” 2024 IEEE International Parallel and Distributed Processing Symposium (IPDPS) (July 2024), San Francisco, CA, IEEE. doi: 10.1109/IPDPS57955.2024.00069

AUGUST

Ahn, J., S.-H. Kang, M. Yoon, and J. T. Krogel. “Exploring Interlayer Coupling in the Twisted Bilayer PtTe₂,” Physical Review Research (August 2024), APS. doi: 10.1103/PhysRevResearch.6.033177

Alkan, M., B. Q. Pham, D. Del Angel Cruz, J. R. Hammond, T. A. Barnes, and M. S. Gordon. “LibERI—A Portable and Performant Multi-GPU Accelerated Library for Electron Repulsion Integrals via OpenMP Offloading and Standard Language Parallelism,” The Journal of Chemical Physics (August 2024), AIP Publishing. doi: 10.1063/5.0215352

Adhianto, L., J. Anderson, R. M. Barnett, D. Grbic, V. Indic, M. Krentel, Y. Liu, S. Milaković, W. Phan, and J. Mellor-Crummey. “Refining HPCToolkit for Application Performance Analysis at Exascale,” The International Journal of High Performance Computing Applications (August 2024), SAGE Publications. doi: 10.1177/10943420241277839

Antepara, O., T. Zhao, B. Sepanski, P. Basu, H. Johansen, M. Hall, and S. Williams. “Bricks: A High-Performance Portability Layer for Computations on Block-Structured Grids,” The International Journal of High Performance Computing Applications (August 2024), SAGE Publications. doi: 10.1177/10943420241268288

Aulakh, D. J. S., X. Yang, and R. Maulik. “Robust Experimental Data Assimilation for the Spalart-Allmaras Turbulence Model,” Physical Review Fluids (August 2024), APS. doi: 10.1103/PhysRevFluids.9.084608

Chitty-Venkata, K. T., V. K. Sastry, M. Emani, V. Vishwanath, S. Shanmugavelu, and S. Howland. “WActiGrad: Structured Pruning for Efficient Finetuning and Inference of Large Language Models on AI Accelerators,” Euro-Par 2024: Parallel Processing (August 2024), Springer Nature. doi: 10.1007/978-3-031-69766-1_22

Danciu, B. A., G. K. Giannakopoulos, M. Bode, and C. E. Frouzakis. “Multi-Cycle Direct Numerical Simulations of a Laboratory Scale Engine: Evolution of Boundary Layers and Wall Heat Flux,” Flow, Turbulence and Combustion (August 2024), Springer Nature. doi: 10.1007/s10494-024-00576-w

Gao, X., J. He, R. Zhang, and Y. Zhao. “Systematic Uncertainties from Gribov Copies in Lattice Calculation of Parton Distributions in the Coulomb Gauge,” Chinese Physics Letters (August 2024), IOP Publishing. doi: 10.1088/0256-307X/41/12/121201

Gensini, V. A., W. S. Ashley, A. C. Michaelis, A. M. Haberlie, J. Goodin, and B. C. Wallace. “Hailstone Size Dichotomy in a Warming Climate,” npj Climate and Atmospheric Science (August 2024), Springer Nature. doi: 10.1038/s41612-024-00728-9

Ho, T. H. Q. A. T. Nguyen, B.-T. Truong Le, S.-G. Kim, and V. Q. Bui. “Unlocking Electrocatalytic Dynamics with Anti-MXene Borides Monolayers for Nitrate Reduction,” Applied Surface Science (August 2024), Elsevier. doi: 10.1016/j.apsusc.2024.160908

Hupfeld, E., S. Schlee, J. P. Wurm, C. Rajendran, D. Yehorova, E. Vos, D. R. Raju, S. C. L. Kamerlin, R. Sprangers, and R. Sterner. “Conformational Modulation of a Mobile Loop Controls Catalysis in the (βα)₈-Barrel Enzyme of Histidine Biosynthesis HisF,” JACS Au (August 2024), ACS Publications. doi: 10.1021/jacsau.4c00558

Kim, K., S. Yuan, A. M. Dive, A. Grieder, N. Adelstein, S. Kang, B. C. Wood, and L. Wan. “Probing Interfacial Degradation in Solid-State Batteries Using Machine Learning Force Fields,” ECS Meeting Abstracts (August 2024), The Electrochemical Society. doi: 10.1149/MA2024-012221mtgabs

Marrinan, T., V. A. Mateevitsi, M. Moeller, A. Kanayinkal, and M. E. Papka. “2023 IEEE Scientific Visualization Contest Winner: VisAnywhere: Developing Multiplatform Scientific Visualization Applications,” IEEE Computer Graphics and Applications (August 2024), IEEE. doi: 10.1109/MCG.2024.3444460

Maurya, A., R. Underwood, M. M. Rafique, F. Cappello, and B. Nicolae. “DataStates-LLM: Lazy Asynchronous Checkpointing for Large Language Models,” HPDC ‘24: Proceedings of the 33rd International Symposium on High-Performance Parallel and Distributed Computing (August 2024), New York, NY, IEEE. doi: 10.1145/3625549.3658685

Moreland, K., T. M. Athawale, V. Bolea, M. Bolstad, E. Brugger, H. Childs, A. Huebl, L.-T. Lo, B. Geveci, N. Marsaglia, S. Philip, D. Pugmire, S. Rizzi, Z. Wang, and A. Yenpure. “Visualization at Exascale: Making It All Work with VTK-m,” The International Journal of High Performance Computing Applications (August 2024), SAGE Publications. doi: 10.1177/10943420241270969

Muñoz-Muñoz, D., F. Garcia-Carballeira, D. Camarmas-Alonso, A. Calderon-Mateos, and J. Carretero. “Fault Tolerant in the Expand Ad-Hoc Parallel File System,” Euro-Par 2024: Parallel Processing (August 2024), Madrid, Spain, Springer Nature. doi: 10.1007/978-3-031-69766-1_5

Nguyen, Q. A. T., T. H. Ho, S.-G. Kim, A. Kumar, and V. Q. Bui. “Orbital-Engineered Anomalous Hall Conductivity in Stable Full Heusler Compounds: A Pathway to Optimized Spintronics,” Journal of Materials Chemistry C (August 2024), Royal Society of Chemistry. doi: 10.1039/D4TC02116A

Patwa, H., N. S. Babcock, and P. Kurian. “Quantum-Enhanced Photoprotection in Neuroprotein Architectures Emerges from Collective Light-Matter Interactions,” Frontiers in Physics (August 2024), Frontiers Media SA. doi: 10.3389/fphy.2024.1387271

Shin, H., K. Gasperich, T. Rojas, A. T. Ngo, J. T. Krogel, and A. Benali. “Systematic Improvement of Quantum Monte Carlo Calculations in Transition Metal Oxides: sCI-Driven Wavefunction Optimization for Reliable Band Gap Prediction,” Journal of Chemical Theory and Computation (August 2024), ACS Publications. doi: 10.1021/acs.jctc.4c00335

Su, C.-C., Z. Zhang, M. Lyu, M. Cui, and E. W. Yu. “Cryo-EM Structures of the Human Band 3 Transporter Indicate a Transport Mechanism Involving the Coupled Movement of Chloride and Bicarbonate Ions,” PLOS Biology (August 2024), Public Library of Science. doi: 10.1371/journal.pbio.3002719

Underwood, R., M. Madhyastha, R. Burns, and B. Nicolae. “EvoStore: Towards Scalable Storage of Evolving Learning Models,” HPDC ‘24: Proceedings of the 33rd International Symposium on High-Performance Parallel and Distributed Computing (August 2024), New York, NY, ACM. doi: 10.1145/3625549.3658679

Willman, J. T., J. M. Gonzalez, K. Nguyen-Cong, S. Hamel, V. Lordi, and I. I. Oleynik. “Accuracy, Transferability, and Computational Efficiency of Interatomic Potentials for Simulations of Carbon Under Extreme Conditions,” The Journal of Chemical Physics (August 2024), AIP Publishing. doi: 10.1063/5.0218705

Wu, Q., J. A. Insley, V. A. Mateevitsi, S. Rizzi, M. E. Papka, and K.-L. Ma. “Distributed Neural Representation for Reactive In Situ Visualization,” IEEE Transactions on Visualization and Computer Graphics (August 2024), IEEE. doi: 10.1109/TVCG.2024.3432710

Zuo, W., J. Gim, T. Li, D. Hou, Y. Gao, S. Zhou, C. Zhao, X. Jia, Z. Yang, Y. Liu, X. Xiao, G. L. Xu, and K. Amine. “Microstrain Screening Towards Defect-less Layered Transition Metal Oxide Cathodes,” Nature Nanotechnology (August 2024), Springer Nature. doi: 10.1038/s41565-024-01734-x

SEPTEMBER

Bollweg, D., H.-T. Ding, J. Goswami, F. Karsch, S. Mukherjee, P. Petreczky, and C. Schmidt. “Strangeness-Correlations on the Pseudocritical Line in (2+1)-Flavor QCD,” Physical Review D (September 2024), APS. doi: 10.1103/PhysRevD.110.054519

Brower, R. C., E. Owen, C. Rebbi, C. Culver, D. Schaich, K. K. Cushman, G. T. Fleming, A. Gasbarro, A. Hasenfratz, E. T. Neil, J. Ingoldby, X. Y. Jin, J. C. Osborn, E. Rinaldi, P. Vranas, E. Weinberg, and O. Witzel. “Light Scalar Meson and Decay Constant in SU(3) Gauge Theory with Eight Dynamical Flavors,” Physical Review D (September 2024), APS. doi: 10.1103/PhysRevD.110.054501

Egele, R., F. Mohr, T. Viering, and P. Balaprakash. “The Unreasonable Effectiveness of Early Discarding After One Epoch in Neural Network Hyperparameter Optimization,” Neurocomputing (September 2024), Elsevier. doi: 10.1016/j.neucom.2024.127964

Huang, J., B. Peng, C. Zhu, M. Xu, Y. Liu, Z. Liu, J. Zhou, S. Wang, X. Duan, H. Heinz, and Y. Huang. “Surface Molecular Pump Enables Ultrahigh Catalyst Activity,” Science Advances (September 2024), AAAS. doi: 10.1126/sciadv.ado3942

Jarmusch, A., F. Cabarcas, S. Pophale, A. Kallai, J. Doerfert, L. Peyralans, S. Lee, J. Denny, and S. Chandrasekaran. “CI/CD Efforts for Validation, Verification and Benchmarking OpenMP Implementations,” IWOMP 2024: Advancing OpenMP for Future Accelerators (September 2024), Perth, WA, Australia, Springer Nature. doi: 10.1007/978-3-031-72567-8_8

Loeffler, H. H., S. Wan, M. Klähn, A. P. Bhati, and P. V. Coveney. “Optimal Molecular Design: Generative Active Learning Combining REINVENT with Precise Binding Free Energy Ranking Simulations,” Journal of Chemical Theory and Computation (September 2024), ACS Publications. doi: 10.1021/acs.jctc.4c00576

Lusczek, P., A. Castaldo, Y. M. Tsai, D. Mishler, and J. Dongarra. “Numerical Eigen-Spectrum Slicing, Accurate Orthogonal Eigen-Basis, and Mixed-Precision Eigenvalue Refinement Using OpenMP Data-Dependent Tasks and Accelerator Offload,” The International Journal of High Performance Computing Applications (September 2024), Sage. doi: 10.1177/109434202412810

Madireddy, S., C. Akçay, S. E. Kruger, T. Bechtel Amara, X. Sun, J. McClenaghan, J. Koo, A. Samaddar, Y. Liu, P. Palaprakash, and L. L. Lao. “EFIT-Prime: Probabilistic and Physics-Constrained Reduced-Order Neural Network Model for Equilibrium Reconstruction in DIII-D,” Physics of Plasmas (September 2024), AIP Publishing. doi: 10.1063/5.0213609

Qiao, F., T. A. Binkowski, I. Broughan, W. Chen, A. Natarajan, G. E. Schlitz, K. A. Scheidt, W. F. Anderson, and R. Bergan. “Protein Structure Inspired Discovery of a Novel Inducer of Anoikis in Human Melanoma,” Cancers (September 2024), MDPI. doi: 10.3390/cancers16183177

Sampathkumar, V., K. P. Koster, B. J. Carroll, S. Murray, Sherman, and N. Kasthuri. “Synaptic Integration of Somatosensory and Motor Cortical Inputs onto Spiny Projection Neurons of Mice Caudoputamen,” European Journal of Neuroscience (September 2024), John Wiley and Sons. doi: 10.1111/ejn.16538

Sudharsan, S., and A. Sharma. “Criteria for Dynamic Stall Onset and Vortex Shedding in Low-Reynolds-Number Flows,” Journal of Fluid Mechanics (September 2024), Cambridge University Press. doi: 10.1017/jfm.2024.753

Thavappiragasam, M., J. A. Harris, E. Endeve, and B. Videau. “Performance Porting the ExaStar Multi-Physics App Thornado on Heterogeneous Systems—A Fortran-OpenMP Code-Base Evaluation,” IWOMP 2024: Advancing OpenMP for Future Accelerators (September 2024), Perth, WA, Australia, Springer Nature. doi: 10.1007/978-3-031-72567-8_2

Tian, M., L. Gao, D. Zhang, X. Chen, C. Fan, X. Guo, R. Haas, P. Ji, K. Krongchon, Y. Li, S. Liu, D. Luo, Y. Ma, H. Tong, K. Trinh, C. Tian, Z. Wang, B. Wu, Y. Xiong, S. Yin, M. Zhu, K. Lieret, Y. Lu, G. Liu, Y. Du, T. Tao, Ofir Press, J. Callan, E. Huerta, and H. Peng. “SciCode: A Research Coding Benchmark Curated by Scientists,” NeurIPS 2024 (September 2024), OpenReview.

Upadhyay, S., A. Benali, and K. D. Jordan. “Capturing Correlation Effects in Positron Binding to Atoms and Molecules,” Journal of Chemical Theory and Computation (September 2024), ACS Publications. doi: 10.1021/acs.jctc.4c00727

Ward, L., B. Blaiszik, C.-W. Lee, T. Martin, I. Foster, and A. Schleife. “Accelerating Multiscale Electronic Stopping Power Predictions with Time-Dependent Density Functional Theory and Machine Learning,” npj Computational Materials (September 2024), Springer Nature. doi: 10.1038/s41524-024-01374-8

Winetrout, J. J., K. Kanhaiya, J. Kemppainen, P. J. in ‘t Veld, G. Sachdeva, R. Pandey, B. Damirchi, A. van Duin, G. M. Odegard, and H. Heinz. “Implementing Reactivity in Molecular Dynamics Simulations with Harmonic Force Fields,” Nature Communications (September 2024), Springer Nature. doi: 10.1038/s41467-024-50793-0

Zheng, W., J. Kordas, T. J. Skluzacek, R. Kettimuthu, and I. Foster. “Globus Service Enhancements for Exascale Applications and Facilities,” The International Journal of High Performance Computing Applications (September 2024), Sage. doi: 10.1177/10943420241281744

OCTOBER

Ahrens, J., M. Arienti, U. Ayachit, J. Bennett, R. Binyahib, A. Biswas, P.-T. Bremer, E. Brugger, R. Bujack, H. Carr, J. Chen, H. Childs, S. Dutta, A. Essiari, B. Geveci, C. Harrison, S. Hazarika, M. H. Fulp, P. Hristov, X. Huang, J. Insley, Y. Kawakami, C. Keilers, J. Kress, M. Larsen, D. Lipsa, M. Majumder, N. Marsaglia, V. A. Mateevitsi, V. Pascucci, J. Patchett, S. Patel, S. Petruzza, D. Pugmire, S. Rizzi, D. H. Rogers, O. Rübel, J. Salinas, S. Sane, S. Shudler, A. Stewart, K. Tsai, T. L. Turton, W. Usher, Z. Wang, G. H. Weber, C. Wetterer-Nelson, J. Woodring, and A. Yenpure. “The ECP ALPINE Project: In Situ and Post Hoc Visualization Infrastructure and Analysis Capabilities for Exascale,” The International Journal of High Performance Computing Applications (October 2024), SAGE Publications. doi: 10.1177/10943420241286521

Bertrand, A., A. Lewis, J. Camps, V. Grau, and B. Rodriguez. “Multi-Modal Characterisation of Early-Stage, Subclinical Cardiac Deterioration in Patients with Type 2 Diabetes,” Cardiovascular Diabetology (October 2024), Springer Nature. doi: 10.1186/s12933-024-02465-y

Bhattarai, R., and T. D. Rhone. “Exploring Bonding Configurations in MnBi₂Te₄-Type Materials,” ACS Applied Materials and Interfaces (October 2024), ACS Publications. doi: 10.1021/acsami.4c12946

Bouvier, T., B. Nicolae, H. Chaugier, A. Costan, I. Foster, and G. Antoniu. “Efficient Data-Parallel Continual Learning with Asynchronous Distributed Rehearsal Buffers,” 2024 IEEE 24th International Symposium on Cluster, Cloud and Internet Computing (CCGrid) (October 2024), Philadelphia, PA, IEEE. doi: 10.1109/CCGrid59990.2024.00036

Breitenfeld, M. S., H. Tang, H. Zheng, J. Henderson, and S. Byna. “HDF5 in the Exascale Era: Delivering Efficient and Scalable Parallel I/O for Exascale Applications,” The International Journal of High Performance Computing Applications (October 2024), Sage. doi: 10.1177/10943420241288244

Cheng, D., K.-L. Nguyen, M. Heyde, B. R. Cuenya, A. N. Alexandrova, and P. Sautet. “Structure Sensitivity and Catalyst Restructuring for CO₂ Electro-Reduction on Copper,” ECS Meeting Abstracts (October 2024), The Electrochemical Society. doi: 10.1149/MA2024-02624231mtgabs

Choi, L., A. Burrows, and D. Vartanyan. “Gravitational-Wave and Gravitational-Wave Memory Signatures of Core-Collapse Supernovae,” The Astrophysical Journal (October 2024), IOP Publishing. doi: 10.3847/1538-4357/ad74f8

Cui, M., Y. Lu, M. Mezei, and D. E. Logothetis. “Molecular Dynamics (MD) Simulations Provide Insights into the Activation Mechanisms of 5-HT_2A Receptors,” Molecules (October 2024), MDPI. doi: 10.3390/molecules29204935

Cui, M., Y. Lu, X. Ma, and D. E. Logothetis. “Molecular Mechanism of GIRK2 Channel Gating Modulated by Cholesteryl Hemisuccinate,” Frontiers in Physiology (October 2024), Frontiers Media SA. doi: 10.3389/fphys.2024.1486362

Ding, H.-T., X. Gao, A. D. Hanlon, S. Mukherjee, P. Petreczky, Q. Shi, S. Syritsyn, R. Zhang, and Y. Zhao. “QCD Predictions for Meson Electromagnetic Form Factors at High Momenta: Testing Factorization in Exclusive Processes,” Physical Review Letters (October 2024), APS. doi: 10.1103/PhysRevLett.133.181902

Hong, I., H. Bae, J. Ahn, H. Shin, H. Lee, and Y. Kwon. “Design of Biphenylene-Derived Tunable Dirac Materials,” FlatChem (October 2024), Elsevier. doi: 10.1016/j.flatc.2024.100760

Liu, Q., J. Xu, W. Jiang, J. Gim, A. P. Tornheim, R. Pathak, Q. Zhu, P. Zuo, Z. Yang, K. Z. Pupek, E. Lee, C. Wang, C. Liu, J. R. Croy, K. Xu, and Z. Zhang. “High-Energy LiNiO₂ Li Metal Batteries Enabled by Hybrid Electrolyte Consisting of Ionic Liquid and Weakly Solvating Fluorinated Ether,” Advanced Science (October 2024), John Wiley and Sons. doi: 10.1002/advs.202409662

Liu, Y., F. Alsafadi, T. Mui, D. O’Grady, and R. Hu. “Development of Whole System Digital Twins for Advanced Reactors: Leveraging Graph Neural Networks and SAM Simulations,” Nuclear Technology (October 2024), Taylor and Francis. doi: 10.1080/00295450.2024.2385214

Maharjan, R., Z. Zhang, P. A. Klenotic, W. D. Gregor, M. L. Tringides, M. Cui, G. E. Purdy, and E. W. Yu. “Structures of the Mycobacterial MmpL4 and MmpL5 Transporters Provide Insights into Their Role in Siderophore Export and Iron Acquisition,” PLOS Biology (October 2024), Public Library of Science. doi: 10.1371/journal.pbio.3002874

Ngom, M., C. Graziani, and N. Paulson. “Atomic Layer Deposition Optimization via Targeted Adaptive Design,” 38th Conference on Neural Information Processing Systems (October 2024), OpenReview.

Samaddar, A., S. K. Ravi, N. Ramachandra, L. Luan, S. Madireddy, A. Bhaduri, P. Pandita, C. Sun, and L. Wang. “Data-Efficient Dimensionality Reduction and Surrogate Modeling of High-Dimensional Stress Fields,” Journal of Mechanical Design (October 2024), ASME. doi: 10.1115/1.4066224

Shilpika, S., B. Lusch, M. Emani, F. Simini, V. Vishwanath, M. E. Papka, and K.-L. Ma. “A Multi-Level, Multi-Scale Visual Analytics Approach to Assessment of Multifidelity HPC Systems,” 2024 IEEE 24th International Symposium on Cluster, Cloud and Internet Computing (CCGrid) (October 2024), Philadelphia, PA, IEEE. doi: 10.1109/CCGrid59990.2024.00060

Tramm, J., P. Romano, P. Shriwise, A. Lund, J. Doerfert, P. Steinbrecher, A. Siegel, and G. Ridley. “Performance Portable Monte Carlo Particle Transport on Intel, NVIDIA, and AMD GPUs,” Joint International Conference on Supercomputing in Nuclear Applications + Monte Carlo (SNA + MC 2024) (October 2024), Paris, France, EDP Sciences. doi: 10.1051/epjconf/202430204010

Wang, T., and A. Burrows. “Insights into the Production of ⁴⁴Ti and Nickel Isotopes in Core-Collapse Supernovae,” The Astrophysical Journal (October 2024), IOP Publishing. doi: 10.3847/1538-4357/ad6983

Ward, L., J. G. Pauloski, V. Hayot-Sasson, Y. Babuji, A. Brace, R. Chard, K. Chard, R. Thakur, and I. Foster. “Employing Artificial Intelligence to Steer Exascale Workflows with Colmena,” The International Journal of High Performance Computing Applications (October 2024), SAGE Publications. doi: 10.1177/10943420241288242

Wu, X., P. Balaprakash, M. Kruse, J. Koo, B. Videau, P. Hovland, V. Taylor, B. Geltz, S. Jana, and M. Hall. “ytopt: Autotuning Scientific Applications for Energy Efficiency at Large Scales,” Concurrency and Computation: Practice and Experience (October 2024), John Wiley and Sons. doi: 10.1002/cpe.8322

Wu, X., J. R. Tramm, J. Larson, J.-L. Navarro, P. Balaprakash, B. Videau, M. Kruse, P. Hovland, V. Taylor, and M. Hall. “Integrating ytopt and libEnsemble to Autotune OpenMC,” The International Journal of High Performance Computing Applications (October 2024), SAGE Publications. doi: 10.1177/10943420241286476

NOVEMBER

Abbott, R., M. S. Albergo, D. Boyda, D. Hackett, G. Kanwar, F. Romero-Lopez, P. Shanahan, and J. Urban. “Multiscale Normalizing Flows for Gauge Theories,” The 40th International Symposium on Lattice Field Theory (LATTICE2023) (November 2024), Batavia, IL, Sissa Medialab. doi: https://doi.org/10.22323/1.453.0035

Abbott, R., D. Boyda, D. Hackett, G. Kanwar, F. Romero-Lopez, P. Shanahan, J. Urban, and M. Albergo. “Practical Applications of Machine-Learned Flows on Gauge Fields,” The 40th International Symposium on Lattice Field Theory (LATTICE2023) (November 2024), Batavia, IL, Sissa Medialab. doi: 10.22323/1.453.0011

Adeniji, I. A., J. A. Insley, D. Joiner, V. A. Mateevitsi, M. E. Papka, and S. Rizzi. “Exploring Large-Scale Scientific Data in Virtual Reality,” 2024 IEEE 14th Symposium on Large Data Analysis and Visualization (LDAV) (November 2024), St Pete Beach, FL, IEEE. doi: 10.1109/LDAV64567.2024.00019

Barwey, S., R. Balin, B. Lusch, S. Patel, R. Balakrishnan, P. Pal, R. Maulik, and V. Vishwanath. “Scalable and Consistent Graph Neural Networks for Distributed Mesh-Based Data-Driven Modeling,” SC24-W: Workshops of the International Conference for High Performance Computing, Networking, Storage and Analysis (November 2024), IEEE. doi: 10.1109/SCW63240.2024.00146

Bilondi, A. M., N. Scapin, L. Brandt, and P. Mirbod. “Turbulent Convection in Emulsions: The Rayleigh–Bénard Configuration,” Journal of Fluid Mechanics (November 2024), Cambridge University Press. doi: 10.1017/jfm.2024.765

Brower, R. C., C. Culver, K. K. Cushman, G. T. Fleming, A. Hasenfratz, D. Howarth, J. Ingoldby, X. Y. Jin, G. D. Kribs, A. S. Meyer, E. T. Neil, J. C. Osborn, E. Owen, S. Park, C. Rebbi, E. Rinaldi, D. Schaich, P. Vranas, E. Weinberg, and O. Witzel. “Stealth Dark Matter Spectrum Using Laplacian Heaviside Smearing and Irreducible Representations,” Physical Review D (November 2024), APS. doi: 10.1103/PhysRevD.110.095001

Chambers-Wall, G., A. Gnech, G. B. King, S. Pastore, M. Piarulli, R. Schiavilla, and R. B. Wiringa. “Magnetic Structure of 𝐴≤10 Nuclei Using the Norfolk Nuclear Models with Quantum Monte Carlo Methods,” Physical Review C (November 2024), APS. doi: 10.1103/PhysRevC.110.054316

Chambers-Wall, G., A. Gnech, G. B. King, S. Pastore, M. Piarulli, R. Schiavilla, and R. B. Wiringa. “Quantum Monte Carlo Calculations of Magnetic Form Factors in Light Nuclei,” Physical Review Letters (November 2024), APS. doi: 10.1103/PhysRevLett.133.212501

Chu, X., D. Hofstätter, S. Ilager, S. Talluri, D. Kampert, D. Podareanu, D. Duplyakin, I. Brandic, and A. Iosup. “Generic and ML Workloads in an HPC Datacenter: Node Energy, Job Failures, and Node-Job Analysis,” 2024 IEEE 30th International Conference on Parallel and Distributed Systems (ICPADS) (November 2024), Belgrade, Serbia, IEEE. doi: 10.1109/ICPADS63350.2024.00097

Dai, Z., and F. Giustino. “Identification of Large Polarons and Exciton Polarons in Rutile and Anatase Polymorphs of Titanium Dioxide,” Proceedings of the National Academy of Sciences of the United States of America (November 2024), National Academy of Sciences. doi: 10.1073/pnas.2414203121

Devarajan, H., L. Pottier, K. Velusamy, H. Zheng, I. Yildirim, O. Kogiou, W. Yu, A. Kougakas, X.-H. Sun, J. S. Yeom, and K. Mohror. “DFTracer: An Analysis-Friendly Data Flow Tracer for AI-Driven Workflows,” SC24: International Conference for High Performance Computing, Networking, Storage and Analysis (November 2024), Atlanta, GA, IEEE. doi: 10.1109/SC41406.2024.00023

Dominski, J., P. Maget, P. Manas, J. Morales, S. Ku, A. Scheinberg, C. S. Chang, R. Hager, M. O’Mullane, and the WEST team. “Gyrokinetic Prediction of Core Tungsten Peaking in a WEST Plasma with Nitrogen Impurities,” Nuclear Fusion (November 2024), IOP Publishing. doi: 10.1088/1741-4326/ad8c63

Geng, P., S. Huang, and J. Marian. “Stability of Trivalent and Hexavalent Chromium Oxide Layers on Aluminum Substrates from Electronic Structure Calculations,” Physical Review Materials (November 2024), APS. doi: 10.1103/PhysRevMaterials.8.113603

Grubbs, T., and I. A. Bolotnov. “V2684603: Interface Resolved Simulation of Two-Phase Flow Within a 360° Steam Separator Geometry,” 77th Annual Meeting of the APS Division of Fluid Dynamics (November 2024), Salt Lake City, UT, APS. doi: 10.1103/APS.DFD.2024.GFM.V2684603

Heinemann, C., J. Amstutz, J. A. Insley, V. A. Mateevitsi, M. E. Papka, and S. Rizzi. “Graphical Representation Through a User Interface for In Situ Scientific Visualization with Ascent,” 2024 IEEE 14th Symposium on Large Data Analysis and Visualization (LDAV) (November 2024), St Pete Beach, FL, IEEE. doi: 10.1109/LDAV64567.2024.00017

Jung, C., and N. H. Christ. “Riemannian Manifold HMC with Fermions,” The 40th International Symposium on Lattice Field Theory (LATTICE2023) (November 2024), Batavia, IL, Sissa Medialab. doi: 10.22323/1.453.0009

King, G. B., G. Chambers-Wall, A. Gnech, S. Pastore, M. Piarulli, and R. B. Wiringa. “Longitudinal Form Factors of 𝐴≤10 Nuclei in a Chiral Effective Field Theory Approach,” Physical Review C (November 2024), APS. doi: 10.1103/PhysRevC.110.054325

Kumar, P., S. Kabra, and J. M. Cole. “A Database of Stress-Strain Properties Auto-Generated from the Scientific Literature Using ChemDataExtractor,” Scientific Data (November 2024), Springer Nature. doi: 10.1038/s41597-024-03979-6

Lavroff, R. H., E. Cummings, K. Sawant, Z. Zhang, P. Sautet, and A. N. Alexandrova. “Cu-Supported ZnO under Conditions of CO2 Reduction to Methanol: Why 0.2 ML Coverage?,” The Journal of Physical Chemistry Letters (November 2024), ACS Publications. doi: 10.1021/acs.jpclett.4c02908

Li, Z., K. Shi, D. Dubbeldam, M. Dewing, C. Knight, Á. Vásquez-Mayagoitia, and R. Q. Snurr. “Efficient Implementation of Monte Carlo Algorithms on Graphical Processing Units for Simulation of Adsorption in Porous Materials,” Journal of Chemical Theory and Computation (November 2024), ACS Publications. doi: 10.1021/acs.jctc.4c01058

Martinez-Navarro, H., A. Bertrand, R. Doste, H. Smith, J. Tomek, G. Ristagno, R. S. Oliveira, R. Weber dos Santos, S. V. Pandit, and B. Rodriguez. “ECG Analysis of Ventricular Fibrillation Dynamics Reflects Ischaemic Progression Subject to Variability in Patient Anatomy and Electrode Location,” Frontiers in Cardiovascular Medicine (November 2024), Frontiers Media. doi: 10.3389/fcvm.2024.1408822

Mateevitsi, V. A., A. Sewell, M. Bode, P. Fischer, J. H. Göbbert, J. A. Insley, I. Kavroulakis, Y.-H. Lan, M. Min, D. Papageorgiou, M. E. Papka, S. Petruzza, S. Rizzi, and A. Tomboulides. “Visuals on the House: Optimizing HPC Workflows with No-Cost CPU Visualization,” 2024 IEEE 14th Symposium on Large Data Analysis and Visualization (LDAV) (November 2024), St Pete Beach, FL, IEEE. doi: 10.1109/LDAV64567.2024.00016

Minch, P., R. Bhattarai, K. Choudary, and T. D. Rhone. “Predicting Magnetic Properties of van der Waals Magnets Using Graph Neural Networks,” Physical Review Materials (November 2024), APS. doi: 10.1103/PhysRevMaterials.8.114002

Povaliaiev, D., R. Liem, J. Kunkel, J. Lofstead, and P. Carns. “High-Quality I/O Bandwidth Prediction with Minimal Data via Transfer Learning Workflow,” 2024 IEEE 36th International Symposium on Computer Architecture and High Performance Computing (SBAC-PAD) (November 2024), Hilo, HI, IEEE. doi: 10.1109/SBAC-PAD63648.2024.00017

Prince, M. H., H. Chan, A. Vriza, T. Zhou, V. K. Sastry, Y. Luo, M. T. Dearing, R. J. Harder, R. K. Vasudevan, and M. J. Cherukara. “Opportunities for Retrieval and Tool Augmented Large Language Models in Scientific Facilities,” npj Computational Materials (November 2024), Springer Nature. doi: 10.1038/s41524-024-01423-2

Sewell, A., L. Dyken, V. A. Mateevitsi, W. Usher, J. Amstutz, T. Marrinan, K. Reda, S. Rizzi, J. A. Insley, M. E. Papka, S. Kumar, and S. Petruzza. “High-Quality Approximation of Scientific Data using 3D Gaussian Splatting,” 2024 IEEE 14th Symposium on Large Data Analysis and Visualization (LDAV) (November 2024), St Pete Beach, FL, IEEE. doi: 10.1109/LDAV64567.2024.00018

Xu, N., and I. Bermejo-Moreno. “Wall-Modeled Large-Eddy Simulations of the Flow over a Gaussian-Shaped Bump with a Sensor-Based Blended Wall Model,” Physical Review Fluids (November 2024), APS. doi: 10.1103/PhysRevFluids.9.114605

DECEMBER

Andreoli, L., G. B. King, S. Pastore, M. Piarulli, J. Carlson, S. Gandolfi, and R. B. Wiringa. “Quantum Monte Carlo Calculations of Electron Scattering from 12C in the Short-Time Approximation,” Physical Review C (December 2024), APS. doi: 10.1103/PhysRevC.110.064004

Bhati, A. P., S. Wan, and P. V. Coveney. “Equilibrium and Nonequilibrium Ensemble Methods for Accurate, Precise and Reproducible Absolute Binding Free Energy Calculations,” Journal of Chemical Theory and Computation (December 2024), ACS Publications. doi: 10.1021/acs.jctc.4c01389

Bothmann, E., T. Childers, W. Giele, S. Höche, J. Isaacson, and M. Knobbe. “A Portable Parton-Level Event Generator for the High-Luminosity LHC,” SciPost Physics (December 2024), SciPost Foundation. doi: 10.21468/SciPostPhys.17.3.081

Cloët, I., X. Gao, S. Mukherjee, S. Syritsyn, N. Karthik, P. Petreczky, R. Zhang, and Y. Zhao. “Lattice QCD Calculation of X-Dependent Meson Distribution Amplitudes at Physical Pion Mass with Threshold Logarithm Resummation,” Physical Review D (December 2024), APS. doi: 10.1103/PhysRevD.110.114502

Comiss, L., G. R. Farrar, and M. S. Muzio. “Ultra-High-Energy Cosmic Rays Accelerated by Magnetically Dominated Turbulence,” The Astrophysical Journal Letters (December 2024), American Astronomical Society. doi: 10.3847/2041-8213/ad955f

Dharuman, G., K. Hippe, A. Brace, S. Foreman, V. Hatanpää, V. K. Sastry, H. Zheng, L. Ward, S. Muralidharan, A. Vasan, B. Kale, C. M. Mann, H. Ma, Y.-H. Cheng, Y. Zamora, S. Liu, C. Xiao, M. Emani, T. Gibbs, M. Tatineni, D. Canchi, J. Mitchell, K. Yamada, M. Garzaran, M. E. Papka, I. Foster, R. Stevens, A. Anandkumar, V. Vishwanath, and A. Ramanathan. “MProt-DPO: Breaking the ExaFLOPS Barrier for Multimodal Protein Design Workflows with Direct Preference Optimization,” SC24-W: Workshops of the International Conference for High Performance Computing, Networking, Storage and Analysis (December 2024), Atlanta, GA, IEEE. doi: 10.1109/SC41406.2024.00013

Goldsborough, S. S., S. Cheng, D. Kang, J. P. Molnar, Y. M. Wright, and C. E. Frouzakis. “Asynchronicity in Opposed-Piston RMCs: Does It Matter?,” Proceedings of the Combustion Institute (December 2024), Elsevier. doi: 10.1016/j.proci.2024.105406

Govett, M., B. Bah, P. Bauer, D. Berod, V. Bouchet, S. Corti, C. Davis, Y. Duan, T. Graham, Y. Honda, A. Hines, M. Jean, J. Ishida, B. Lawrence, J. Li, J. Luterbacher, C. Muroi, K. Rowe, M. Schultz, M. Visbeck, and K. Williams. “Exascale Computing and Data Handling: Challenges and Opportunities for Weather and Climate Prediction,” Bulletin of the American Meteorological Society (December 2024), American Meteorological Society. doi: 10.1175/BAMS-D-23-0220.1

Graziani, C., and M. Ngom. “Targeted Adaptive Design,” SIAM/ASA Journal on Uncertainty Quantification (December 2024), Society for Industrial and Applied Mathematics. doi: 10.1137/22M149898X

Harlass, M., R. R. Dalmat, J. Chubak, R. van den Puttelaar, N. Udaltsova, D. A. Corley, C. D. Jensen, N. Collier, J. Ozik, I. Lansdorp-Vogelaar, and R. G. S. Meester. “Optimal Stopping Ages for Colorectal Cancer Screening,” JAMA Network Open (December 2024), AMA. doi: doi.org/10.1001/jamanetworkopen.2024.51715

Jin, H., G. Papadimitriou, K. Raghavan, P. Zuk, P. Balaprakash, and C. Wang. “Large Language Models for Anomaly Detection in Computational Workflows: From Supervised Fine-Tuning to In-Context Learning,” SC24: International Conference for High Performance Computing, Networking, Storage and Analysis (December 2024), Atlanta, GA, IEEE. doi: 10.1109/SC41406.2024.00098

Kéruzoré, F., L. E. Bleem, N. Frontiere, N. Krishnan, M. Buehlmann, J. D. Emberson, S. Habib, and P. Larsen. “The Picasso Gas Model: Painting Intracluster Gas on Gravity-Only Simulations,” The Open Journal of Astrophysics (December 2024), Maynooth Academic Publishing. doi: 10.33232/001c.127486

Lin, P. T., P. Nayak, A. Kashi, D. Kulkarni, A. Scheinberg, and H. Anzt. “Accelerating Fusion Plasma Collision Operator Solves with Portable Batched Iterative Solvers on GPUs,” ISC High Performance 2024 International Workshops (December 2024), Hamburg, Germany, Springer Nature. doi: 10.1007/978-3-031-73716-9_9

Liu, J., J. Tian, S. Wu, S. Di, B. Zhang, R. Underwood, Y. Huang, J. Huang, K. Zhao, G. Li, D. Tao, Z. Chen, and F. Cappelo. “CUSZ-i: High-Ratio Scientific Lossy Compression on GPUs with Optimized Multi-Level Interpolation,” SC24: International Conference for High Performance Computing, Networking, Storage and Analysis (December 2024), Atlanta, GA, IEEE. doi: 10.1109/SC41406.2024.00019

Martin, A., G. Liu, B. Joo, R. Wu, M. S. Kabir, and E. W. Draeger. “Designing a GPU-Accelerated Communication Layer for Efficient Fluid-Structure Interaction Computations on Heterogeneous Systems,” SC24: International Conference for High Performance Computing, Networking, Storage and Analysis (December 2024), Atlanta, GA, IEEE. doi: 10.1109/SC41406.2024.00099

Pauloski, J. G., V. Hayot-Sasson, L. Ward, A. Brace, A. Bauer, K. Chard, and I. Foster. “Object Proxy Patterns for Accelerating Distributed Applications,” IEEE Transactions of Parallel and Distributed Systems (December 2024), IEEE. doi: 10.1109/TPDS.2024.3511347

Pearl, A. N., G. D. Beltz-Mohrmann, and A. P. Hearin. “DiffOpt: Parallel Optimization of Jax Models,” The Journal of Open Source Software (December 2024), Open Source Initiative. doi: 10.21105/joss.07522

Raj, M. S., T. MacDougall, D. Zhang, and D. Dai . “An Empirical Study of a Machine Learning-Based Synthetic Job Trace Generation Methods,” Job Scheduling Strategies for Parallel Processing 2024 (December 2024), San Francisco, CA, Springer Nature. doi: 10.1007/978-3-031-74430-3_2

Tan, N., K. Assogba, W. J. Ashworth, B. Bogale, F. Cappello, M. M. Rafique, M. Taufer, and B. Nicolae. “Towards Affordable Reproducibility Using Scalable Capture and Comparison of Intermediate Multi-Run Results,” Middleware ‘24: Proceedings of the 25th International Middleware Conference (December 2024), Hong Kong, ACM. doi: 10.1145/3652892.3700780

Wisesa, P., and W. A. Saidi. “Overcoming Inaccuracies in Machine Learning Interatomic Potential Implementation for Ionic Vacancy Simulations,” Physical Insights into Chemistry, Catalysis, and Interfaces (December 2024), ACS. doi: 10.1021/acs.jpclett.4c02934

Yu, V. W., Y. Jin, G. Galli, and M. Govoni. “ GPU-Accelerated Solution of the Bethe–Salpeter Equation for Large and Heterogeneous Systems,” Journal of Chemical Theory and Computation (December 2024), ACS Publications. doi: 10.1021/acs.jctc.4c01253

Zhang, Z., W. Gee, R. H. Lavroff, and A. N. Alexandrova. “GOCIA: A Grand Canonical Global Optimizer for Clusters, Interfaces, and Adsorbates,” Physical Chemistry Chemical Physics (December 2024), Royal Society of Chemistry. doi: 10.1039/D4CP03801K

Zhang, Z., M. Lyu, X. Han, S. Bandara, M. Cui, E. S. Istvan, X. Geng, M. L. Tringides, W. D. Gregor, M. Miyagi, J. Oberstaller, J. H. Adams, Y. Zhang, M. T. Nieman, J. Von Lintig, D. E. Goldberg, and E. W. Yu. “The Plasmodium Falciparum NCR1 Transporter Is an Antimalarial Target that Exports Cholesterol from the Parasite’s Plasma Membrane,” Science Advances (December 2024), AAAS. doi: 10.1126/sciadv.adq6651