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

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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