Quantum-Based Molecular Dynamics Simulations Using Tensor Cores-Reference-Cited by-同舟云学术

Quantum-Based Molecular Dynamics Simulations Using Tensor Cores

Published:2021-10-01 Issue:10 Volume:17 Page:6180-6192
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Finkelstein Joshua¹^ORCID,Smith Justin S.¹,Mniszewski Susan M.²^ORCID,Barros Kipton¹,Negre Christian F. A.¹,Rubensson Emanuel H.³^ORCID,Niklasson Anders M. N.¹

Affiliation:

1. Theoretical Division, Los Alamos National Laboratory, Los Alamos, 87545 New Mexico, United States

2. Computer, Computational, and Statistical Sciences Division, Los Alamos National Laboratory, Los Alamos, 87545 New Mexico, United States

3. Division of Scientific Computing, Department of Information Technology, Uppsala University, Box 337, SE-751 05 Uppsala, Sweden

Funder

U.S. Department of Energy

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.1c00726

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