scholarly journals Quantum Chemistry on Graphical Processing Units. 2. Direct Self-Consistent-Field (SCF) Implementation

2009 ◽  
Vol 5 (11) ◽  
pp. 3138-3138 ◽  
Author(s):  
Ivan S. Ufimtsev ◽  
Todd J. Martinez
Keyword(s):  
Quantum Chemistry ◽  
Graphical Processing Units ◽  
Consistent Field ◽  
Self Consistent ◽  
Self Consistent Field ◽  
Graphical Processing

Multiscale methods framework: self-consistent coupling of molecular theory of solvation with quantum chemistry, molecular simulations, and dissipative particle dynamics

2018 ◽  
Vol 20 (5) ◽  
pp. 2947-2969 ◽  
Author(s):  
Andriy Kovalenko ◽  
Sergey Gusarov
Keyword(s):  
Quantum Chemistry ◽  
Computational Chemistry ◽  
Dissipative Particle Dynamics ◽  
Molecular Simulations ◽  
Particle Dynamics ◽  
Multiscale Methods ◽  
Field Coupling ◽  
Consistent Field ◽  
Self Consistent ◽  
Self Consistent Field

In this work, we will address different aspects of self-consistent field coupling of computational chemistry methods at different time and length scales in modern materials and biomolecular science.

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