Tinker-HP: Accelerating Molecular Dynamics Simulations of Large Complex Systems with Advanced Point Dipole Polarizable Force Fields Using GPUs and Multi-GPU Systems-Reference-Cited by-同舟云学术

Tinker-HP: Accelerating Molecular Dynamics Simulations of Large Complex Systems with Advanced Point Dipole Polarizable Force Fields Using GPUs and Multi-GPU Systems

Published:2021-03-23 Issue:4 Volume:17 Page:2034-2053
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Adjoua Olivier¹,Lagardère Louis¹²,Jolly Luc-Henri²,Durocher Arnaud³,Very Thibaut⁴,Dupays Isabelle⁴,Wang Zhi⁵,Inizan Théo Jaffrelot¹,Célerse Frédéric¹⁶^ORCID,Ren Pengyu⁷^ORCID,Ponder Jay W.⁵^ORCID,Piquemal Jean-Philip¹⁷^ORCID

Affiliation:

1. Sorbonne Université, LCT, UMR 7616 CNRS, F-75005 Paris, France

2. Sorbonne Université, IP2CT, FR2622 CNRS, F-75005 Paris, France

3. Eolen, 37-39 Rue Boissière, 75116 Paris, France

4. IDRIS, CNRS, 91403 Orsay, France

5. Department of Chemistry, Washington University in Saint Louis, Saint Louis, Missouri 63110, United States

6. Sorbonne Université, CNRS, IPCM, F-75005 Paris, France

7. Department of Biomedical Engineering, The University of Texas at Austin, Austin, Texas 78712, United States

Funder

Agence Nationale de la Recherche

Minist?re des Arm?es

National Institute of General Medical Sciences