Many-Body Coarse-Grained Interactions Using Gaussian Approximation Potentials-Reference-Cited by-同舟云学术

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Many-Body Coarse-Grained Interactions Using Gaussian Approximation Potentials

Published:2017-11-29 Issue:48 Volume:121 Page:10934-10949
ISSN:1520-6106
Container-title:The Journal of Physical Chemistry B
language:en
Short-container-title:J. Phys. Chem. B

Author:

John S. T.¹²^ORCID,Csányi Gábor³

Affiliation:

1. Department of Physics, Cavendish Laboratory, University of Cambridge, Cambridge CB3 0HE, United Kingdom

2. PROWLER.io, 66-68 Hills Road, Cambridge CB2 1LA, United Kingdom

3. Department of Engineering, University of Cambridge, Cambridge CB2 1PZ, United Kingdom

Funder

Engineering and Physical Sciences Research Council

Publisher

American Chemical Society (ACS)

Subject

Materials Chemistry,Surfaces, Coatings and Films,Physical and Theoretical Chemistry

Link

http://pubs.acs.org/doi/pdf/10.1021/acs.jpcb.7b09636

Reference54 articles.

1. The relative entropy is fundamental to multiscale and inverse thermodynamic problems

2. A Multiscale Coarse-Graining Method for Biomolecular Systems

3. Multiscale coarse graining of liquid-state systems

4. The multiscale coarse-graining method. I. A rigorous bridge between atomistic and coarse-grained models

5. Efficient, Regularized, and Scalable Algorithms for Multiscale Coarse-Graining

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