Multiscale molecular modelling: from electronic structure to dynamics of nanosystems and beyond-Reference-Cited by-同舟云学术

Multiscale molecular modelling: from electronic structure to dynamics of nanosystems and beyond

Published:2022 Issue:16 Volume:24 Page:9051-9081
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Salahub Dennis R.¹^ORCID

Affiliation:

1. Department of Chemistry, Department of Physics and Astronomy, CMS-Centre for Molecular Simulation, IQST-Institute for Quantum Science and Technology, Quantum Alberta, University of Calgary, Calgary, Alberta, T2N 1N4, Canada

Abstract

This tutorial review provides an introduction to multiscale modelling of complex chemical, physical and biological processes through case studies, aimed at beginning researchers and more senior colleagues who are changing direction to focus on multiscale aspects of their research.

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2022/CP/D1CP05928A

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