Multiscale methods framework: self-consistent coupling of molecular theory of solvation with quantum chemistry, molecular simulations, and dissipative particle dynamics-Reference-Cited by-同舟云学术

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

Published:2018 Issue:5 Volume:20 Page:2947-2969
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Kovalenko Andriy¹²³⁴⁵^ORCID,Gusarov Sergey¹²³⁴^ORCID

Affiliation:

1. National Institute for Nanotechnology

2. National Research Council of Canada

3. Edmonton

4. Canada

5. Department of Mechanical Engineering

Abstract

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.

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2018/CP/C7CP05585D

Reference98 articles.

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