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Abbott, R., M. S. Albergo, A. Botev, D. Boyda, K. Cranmer, D. C. Hackett, A. G. D. G. Matthews, S. Racanière, A. Razavi, D. J. Rezende, F. Romero-López, P. E. Shanahan, and J. M. Urban, "Aspects of Scaling and Scalability for Flow-Based Sampling of Lattice QCD," The European Physical Journal A (November 2023), Springer Nature. doi: 10.1140/epja/s10050-023-01154-w

Babu, A. V., T. Zhou, S. Kandel, T. Bicer, Z. Liu, W. Judge, D. J. Ching, Y. Jiang, S. Veseli, S. Henke, R. Chard, Y. Yao, E. Sirazitdinova, G. Gupta, M. V. Holt, I. T. Foster, A. Miceli, and M. J. Cherukara, "Deep Learning at the Edge Enables Real-Time Streaming Ptychographic Imaging," Nature Communications (November 2023), Springer Nature. doi: 10.1038/s41467-023-41496-z

Burrows, A., D. Vartanyan, and T. Wang, "Black Hole Formation Accompanied by the Supernova Explosion of a 40 M⊙ Progenitor Star," The Astrophysical Journal (October 2023), IOP Publishing. doi: 10.3847/1538-4357/acfc1c

Zyvagin, M., A. Brace, K. Hippie, Y. Deng, B. Zhang, C. O. Bohorquez, A. Clyde, B. Kale, D. Perez-Rivera, H. Ma, C. M. Mann, M. Irvin, J. G. Pauloski, L. Ward, V. Hayot-Sasson, M. Emani, S. Foreman, Z. Xie, D. Lin, M. Shukla, W. Nie, J. Romero, C. Dallago, A. Vahdat, C. Xiao, T. Gibbs, I. Foster, J. J. Davis, M. E. Papka, T. Brettin, R. Stevens, A. Anandkumar, V. Vishwanath, and A. Ramanathan, "GenSLMs: Genome-Scale Language Models Reveal SARS-CoV-2 Evolutionary Dynamics," The International Journal of High Performance Computing Applications (October 2023), SAGE Publications. doi: 10.1177/10943420231201154

Chen, Y., E. M. Y. Lee, P. S. Gil, P. Ma, C. V. Amanchukwu, and J. J. de Pablo, "Molecular Engineering of Fluoroether Electrolytes for Lithium Metal Batteries," Molecular Systems Design and Engineering (October 2023), Royal Society of Chemistry. doi: 10.1039/d2me00135g

Liu, X., S. Jiang, A. Vasan, A. Brace, O. Gokdemir, T. Brettin, F. Xia, I. Foster, and R. Stevens, "DrugImprover: Utilizing Reinforcement Learning for Multi-Objective Alignment in Drug Optimization," NeurIPS 2023 Workshop on New Frontiers of AI for Drug Discovery and Development (October 2023), New Orleans, LA, Neural Information Processing Systems Foundation

Datta, D., and M. S. Gordon, "Accelerating Coupled-Cluster Calculations with GPUs: An Implementation of the Density-Fitted CCSD(T) Approach for Heterogeneous Computing Architectures Using OpenMP Directives," Journal of Chemical Theory and Computation (October 2023), ACS Publications. doi: 10.1021/acs.jctc.3c00876

Vartanyan, D., and A. Burrows, "Neutrino Signatures of 100 2D Axisymmetric Core-Collapse Supernova Simulations," Monthly Notices of the Royal Astronomical Society (October 2023), Oxford University Press. doi: 10.1093/mnras/stad2887

Wan, S., A. P. Bhati, and P. V. Coveney, "Comparison of Equilibrium and Nonequilibrium Approaches for Relative Binding Free Energy Predictions," Journal of Chemical Theory and Computation (October 2023), ACS. doi: 10.1021/acs.jctc.3c00842

Harb, H., S. N. Elliott, L. Ward, I. T. Foster, S. J. Klippenstein, L. A. Curtiss, and R. S. Assary, "Uncovering Novel Liquid Organic Hydrogen Carriers: A Systematic Exploration of Chemical Compound Space Using Cheminformatics and Quantum Chemical Methods," Digital Discovery (October 2023), Royal Society of Chemistry. doi: 10.1039/D3DD00123G

Kravvaris, K., P. Navrátil, S. Quaglioni, C. Hebborn, and G. Hupin, "Ab Initio Informed Evaluation of the Radiative Capture of Protons on 7Be," Physics Letters B (October 2023), Elsevier. doi: 10.1016/j.physletb.2023.138156

Zahariev, F., P. Xu, B. M. Westheimer, S. Webb, J. G. Vallejo, A. Tiwari, V. Sundriyal, M. Sosonkina, J. Shen, G. Schoendorff, M. Schlinsog, T. Sattasathuchana, K. Ruedenberg, L. B. Roskop, A. P. Rendell, D. Poole, P. Piecuch, B. Q. Pham, V. Mironov, J. Mato, S. Leonard, S. S. Leang, J. Ivanic, J. Hayes, T. Harville, K. Gururangan, E. Guidez, I. S. Gerasimov, C. Friedl, K. N. Ferreras, G. Elliott, D. Datta, D. Del Angel Cruz, L. Carrington, C. Bertoni, G. M. J. Barca, M. Alkan, and M. S. Gordon, "The General Atomic and Molecular Electronic Structure System (GAMESS): Novel Methods on Novel Architectures," Journal of Chemical Theory and Computation (October 2023), ACS. doi: 10.1021/acs.jctc.3c00379

Huang, S., and J. M. Cole, "ChemDataWriter: A Transformer-Based Toolkit for Auto-Generating Books That Summarise Research," Digital Discovery (October 2023), Royal Society of Chemistry. doi: 10.1039/D3DD00159H

Minch, P., R. Bhattarai, and T. D. Rhone, "Data-Driven Study of Magnetic Anisotropy in Transition Metal Dichalcogenide Monolayers," Solid State Communications (October 2023), Elsevier. doi: 10.1016/j.ssc.2023.115248

Chitty-Venkata, K. T., Y. Bian, M. Emani, V. Vishwanath, and A. K. Somani, "Differentiable Neural Architecture, Mixed Precision and Accelerator Co-Search," IEEE Access (September 2023), IEEE. doi: 10.1109/ACCESS.2023.3320133

Haberlie, A. M., W. S. Ashley, V. A. Gensini, and A. C. Michaels, "The Ratio of Mesoscale Convective System Precipitation to Total Precipitation Increases in Future Climate Change Scenarios," npj Climate and Atmospheric Science (September 2023), Springer Nature. doi: 10.1038/s41612-023-00481-5

Zhang, C., F. Gygi, and G. Galli, "Engineering the Formation of Spin-Defects from First Principles," Nature Communications (September 2023), Springer Nature. doi: 10.1038/s41467-023-41632-9

Blum, T., P. A. Boyle, M. Bruno, D. Giusti, V. Gülpers, R. C. Hill, T. Izubuchi, Y.-C. Jang, L. Jin, C. Jung, A. Jüttner, C. Kelly, C. Lehner, N. Matsumoto, R. D. Mawhinney, A. S. Meyer, and J. T. Tsang, "Update of Euclidean Windows of the Hadronic Vacuum Polarization," Physical Review D (September 2023), APS. doi: 10.1103/physrevd.108.054507

Navrátil, P., K. Kravvaris, P. Gysbers, C. Hebborn, G. Hupin, and S. Quaglioni, "Ab Initio Investigations of A=8 Nuclei: α–α Scattering, Deformation in 8He, Radiative Capture of Protons on 7Be and 7Li and the X17 Boson," Journal of Physics: Conference Series (September 2023), vol. 2586, IOP Publishing. doi: 10.1088/1742-6596/2586/1/012062