GPU Accelerated Implementation of Density Functional Theory for Hybrid QM/MM Simulations-Reference-Cited by-同舟云学术

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GPU Accelerated Implementation of Density Functional Theory for Hybrid QM/MM Simulations

Published:2014-02-27 Issue:3 Volume:10 Page:959-967
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Nitsche Matías A.¹,Ferreria Manuel²,Mocskos Esteban E.¹²,González Lebrero Mariano C.³

Affiliation:

1. Departamento de Computación, FCEN, UBA, Buenos Aires C1428EGA, Argentina

2. Centro de Simulación Computacional para Aplicaciones Tecnológicas, CSC, CONICET, Buenos Aires C1425FQD, Argentina

3. Instituto de Química y Fisicoquímica Biológicas, IQUIFIB, CONICET, Buenos Aires C1425FQD, Argentina

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

https://pubs.acs.org/doi/pdf/10.1021/ct400308n

Reference32 articles.

1. Two-electron integral evaluation on the graphics processor unit

2. Accelerating Resolution-of-the-Identity Second-Order Møller−Plesset Quantum Chemistry Calculations with Graphical Processing Units

3. Quantum Chemistry on Graphical Processing Units. 1. Strategies for Two-Electron Integral Evaluation

4. Density functional theory calculation on many-cores hybrid central processing unit-graphic processing unit architectures

5. Accelerating molecular modeling applications with graphics processors

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