受强制性开放获取政策约束的文章 - Peng Xu了解详情
无法在其他位置公开访问的文章：2 篇
Many-body dispersion
P Xu, M Alkan, MS Gordon
Chemical Reviews 120 (22), 12343-12356, 2020
强制性开放获取政策： US National Science Foundation
An Accurate Quantum-Based Approach to Explicit Solvent Effects: Interfacing the General Effective Fragment Potential Method with Ab Initio Electronic Structure …
T Sattasathuchana, P Xu, MS Gordon
The Journal of Physical Chemistry A 123 (39), 8460-8475, 2019
强制性开放获取政策： US Department of Energy
可在其他位置公开访问的文章：12 篇
Recent developments in the general atomic and molecular electronic structure system
GMJ Barca, C Bertoni, L Carrington, D Datta, N De Silva, JE Deustua, ...
The Journal of chemical physics 152 (15), 2020
强制性开放获取政策： US National Science Foundation, US Department of Energy, US Department of …
Perspective: Ab initio force field methods derived from quantum mechanics
P Xu, EB Guidez, C Bertoni, MS Gordon
The Journal of Chemical Physics 148 (9), 2018
强制性开放获取政策： US National Science Foundation, US Department of Energy, US Department of …
The general atomic and molecular electronic structure system (GAMESS): novel methods on novel architectures
F Zahariev, P Xu, BM Westheimer, S Webb, J Galvez Vallejo, A Tiwari, ...
Journal of Chemical Theory and Computation 19 (20), 7031-7055, 2023
强制性开放获取政策： US Department of Energy, US Department of Defense
Many-body dispersion in molecular clusters
M Alkan, P Xu, MS Gordon
The Journal of Physical Chemistry A 123 (39), 8406-8416, 2019
强制性开放获取政策： US National Science Foundation
Derivation and Implementation of the Gradient of the R-7 Dispersion Interaction in the Effective Fragment Potential Method
E Guidez, P Xu, MS Gordon
The Journal of Physical Chemistry A 120 (4), 639-647, 2016
强制性开放获取政策： US National Science Foundation
Outcomes of openMP hackathon: openMP application experiences with the offloading model (part II)
B Chapman, B Pham, C Yang, C Daley, C Bertoni, D Kulkarni, ...
OpenMP: Enabling Massive Node-Level Parallelism: 17th International Workshop …, 2021
强制性开放获取政策： US Department of Energy
Computation of host–guest binding free energies with a new quantum mechanics based mining minima algorithm
P Xu, T Sattasathuchana, E Guidez, SP Webb, K Montgomery, H Yasini, ...
The Journal of Chemical Physics 154 (10), 2021
强制性开放获取政策： US National Institutes of Health
Porting fragmentation methods to GPUs using an OpenMP API: Offloading the resolution-of-the-identity second-order Møller–Plesset perturbation method
BQ Pham, L Carrington, A Tiwari, SS Leang, M Alkan, C Bertoni, D Datta, ...
The Journal of Chemical Physics 158 (16), 2023
强制性开放获取政策： US Department of Energy
Outcomes of OpenMP Hackathon: OpenMP Application Experiences with the Offloading Mode
S Pophale, D Oryspayev, B Chapman, B Pham, C Yang, C Daley, ...
Brookhaven National Lab.(BNL), Upton, NY (United States), 2021
强制性开放获取政策： US Department of Energy
The Dimerization of H2NO
P Xu, R Hoffmann
The Journal of Physical Chemistry A 120 (8), 1283-1296, 2016
强制性开放获取政策： US National Science Foundation, US Department of Energy
R–8 Dispersion Interaction: Derivation and Application to the Effective Fragment Potential Method
P Xu, SL Leonard, W O’Brien, MS Gordon
The Journal of Physical Chemistry A 128 (1), 292-327, 2023
强制性开放获取政策： US Department of Energy
Outcomes of OpenMP Hackathon: OpenMP Application Experiences with the Offloading Model Part 2
S Pophale, D Oryspayev, B Pham, B Chapman, C Yang, C Daley, ...
Brookhaven National Lab.(BNL), Upton, NY (United States), 2021
强制性开放获取政策： US Department of Energy
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