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Pandemic Drugs at Pandemic Speed: Accelerating COVID-19 Drug Discovery with Hybrid Machine Learning- and Physics-based Simulations on High Performance Computers., , , , , , , , , and 19 other author(s). CoRR, (2021)IMPECCABLE: Integrated Modeling PipelinE for COVID Cure by Assessing Better LEads., , , , , , , , , and 26 other author(s). ICPP, page 40:1-40:12. ACM, (2021)Materials and Molecular Modeling at the Exascale., , , , , , , , , and 7 other author(s). Comput. Sci. Eng., 24 (1): 36-45 (2022)Comparison of polynomial approximations to speed up planewave-based quantum Monte Carlo calculations., , , , , and . J. Comput. Phys., (2015)Scalable HPC & AI infrastructure for COVID-19 therapeutics., , , , , , , , , and 8 other author(s). PASC, page 2:1-2:13. ACM, (2021)PHON: A program to calculate phonons using the small displacement method.. Comput. Phys. Commun., 180 (12): 2622-2633 (2009)High-precision calculation of Hartree-Fock energy of crystals., , , and . J. Comput. Chem., 29 (13): 2098-2106 (2008)Scalable HPC and AI Infrastructure for COVID-19 Therapeutics., , , , , , , , , and 8 other author(s). CoRR, (2020)IMPECCABLE: Integrated Modeling PipelinE for COVID Cure by Assessing Better LEads., , , , , , , , , and 26 other author(s). CoRR, (2020)