Bicanonical ab Initio Molecular Dynamics for Open Systems-Reference-Cited by-同舟云学术

Bicanonical ab Initio Molecular Dynamics for Open Systems

Published:2017-07-12 Issue:8 Volume:13 Page:3455-3469
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Frenzel Johannes¹^ORCID,Meyer Bernd²^ORCID,Marx Dominik¹

Affiliation:

1. Lehrstuhl für Theoretische Chemie, Ruhr-Universität Bochum, 44780 Bochum, Germany

2. Interdisziplinäres Zentrum für Molekulare Materialien (ICMM) and Computer-Chemie-Centrum (CCC), Friedrich-Alexander-Universität Erlangen-Nürnberg, 91052 Erlangen, Germany

Funder

Deutsche Forschungsgemeinschaft

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.7b00263

Reference52 articles.

1. Grand Molecular Dynamics: A Method for Open Systems

2. Molecular dynamics with a variable number of molecules

3. Alternative Hamiltonian for molecular dynamics simulations in the grand canonical ensemble

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