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ExaChem/exachem

RESOURCE

Publicly Accessible Repository
https://github.com/ExaChem/exachem
https://doi.org/10.11578/dc.20230628.1

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Abstract

Open Source Exascale Computational Chemistry Software
Developers:
Panyala, Ajay ;  Govind, Niri ;  Kowalski, Karol [1] ;  Bauman, Nicholas [1] ;  Peng, Bo [1] ;  Pathak, Himadri [1] ;  Mutlu, Erdal [1] ;  Mejia Rodriguez, Daniel [1] ;  Xantheas, Sotiris [1] ;  Krishnamoorthy, Sriram [1]
  1. Pacific Northwest National Laboratory (PNNL), Richland, WA (United States)
Release Date:
2023-06-28
Project Type:
Open Source, Publicly Available Repository
Software Type:
Scientific
Licenses:
Apache License 2.0
Sponsoring Org.:
Code ID:
108784
Site Accession Number:
Battelle IPID 32692-E
Research Org.:
Pacific Northwest National Laboratory (PNNL), Richland, WA (United States)
Country of Origin:
United States

RESOURCE

Publicly Accessible Repository
https://github.com/ExaChem/exachem
https://doi.org/10.11578/dc.20230628.1

SAVE / SHARE



PNNL Badge

Citation Formats

Panyala, Ajay, Govind, Niri, Kowalski, Karol, Bauman, Nicholas, Peng, Bo, Pathak, Himadri, Mutlu, Erdal, Mejia Rodriguez, Daniel, Xantheas, Sotiris, and Krishnamoorthy, Sriram. ExaChem/exachem. Computer Software. https://github.com/ExaChem/exachem. USDOE. 28 Jun. 2023. Web. doi:10.11578/dc.20230628.1.
Panyala, Ajay, Govind, Niri, Kowalski, Karol, Bauman, Nicholas, Peng, Bo, Pathak, Himadri, Mutlu, Erdal, Mejia Rodriguez, Daniel, Xantheas, Sotiris, & Krishnamoorthy, Sriram. (2023, June 28). ExaChem/exachem. [Computer software]. https://github.com/ExaChem/exachem. https://doi.org/10.11578/dc.20230628.1.
Panyala, Ajay, Govind, Niri, Kowalski, Karol, Bauman, Nicholas, Peng, Bo, Pathak, Himadri, Mutlu, Erdal, Mejia Rodriguez, Daniel, Xantheas, Sotiris, and Krishnamoorthy, Sriram. "ExaChem/exachem." Computer software. June 28, 2023. https://github.com/ExaChem/exachem. https://doi.org/10.11578/dc.20230628.1.
@misc{ doecode_108784,
title = {ExaChem/exachem},
author = {Panyala, Ajay and Govind, Niri and Kowalski, Karol and Bauman, Nicholas and Peng, Bo and Pathak, Himadri and Mutlu, Erdal and Mejia Rodriguez, Daniel and Xantheas, Sotiris and Krishnamoorthy, Sriram},
abstractNote = {Open Source Exascale Computational Chemistry Software},
doi = {10.11578/dc.20230628.1},
url = {https://doi.org/10.11578/dc.20230628.1},
howpublished = {[Computer Software] \url{https://doi.org/10.11578/dc.20230628.1}},
year = {2023},
month = {jun}
}