DOE OSTI · code-190696
ExaChem/exachem
Abstract
Open Source Exascale Quantum Chemistry Software
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Panyala, Ajay [Pacific Northwest National Laboratory (PNNL), Richland, WA (United States)] (0000000208463347), Bauman, NicholasP [Pacific Northwest National Laboratory (PNNL), Richland, WA (United States)] (0000000339626265), Mejia Rodriguez, Daniel [Pacific Northwest National Laboratory (PNNL), Richland, WA (United States)] (0000000203502941), Govind, Niranjan [Pacific Northwest National Laboratory (PNNL), Richland, WA (United States)] (000000033625366X), Kowalski, Karol [Pacific Northwest National Laboratory (PNNL), Richland, WA (United States)] (000000016357785X), Apra, Edoardo [Pacific Northwest National Laboratory (PNNL), Richland, WA (United States)] (0000000159550734), Bagusetty, Abhishek [Argonne National Laboratory (ANL), Argonne, IL (United States). Argonne Leadership Computing Facility (ALCF)], Kleiner, KevinG [Pacific Northwest National Laboratory (PNNL), Richland, WA (United States)], Krishnamoorthy, Sriram [Unconventional AI], Liebenthal, Marcus [Pacific Northwest National Laboratory (PNNL), Richland, WA (United States)], Mapa, ChanakaD [Rensselaer Polytechnic Inst., Troy, NY (United States)], Murphy, David, Mutlu, Erdal [Pacific Northwest National Laboratory (PNNL), Richland, WA (United States)], Nandipati, Giridhar [Pacific Northwest National Laboratory (PNNL), Richland, WA (United States)], Peng, Bo [Pacific Northwest National Laboratory (PNNL), Richland, WA (United States)], Pathak, Himadri [RIKEN, Saitama (Japan)], Xantheas, Sotiris [Pacific Northwest National Laboratory (PNNL), Richland, WA (United States)]. 2026-08-28. ExaChem/exachem. https://doi.org/10.11578/dc.20260828.3
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