Hoover NPT dynamics for systems varying in shape and size-Reference-Cited by-同舟云学术

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Hoover NPT dynamics for systems varying in shape and size

Published:1993-02-20 Issue:3 Volume:78 Page:533-544
ISSN:0026-8976
Container-title:Molecular Physics
language:en
Short-container-title:Molecular Physics

Author:

Melchionna Simone¹,Ciccotti Giovanni²³,Lee Holian Brad⁴

Affiliation:

1. a Dipartimento di Fisica , Università ‘La Sapienza’ , Piazzale Aldo Moro, 2, 00185 , Roma , Italy

2. b Centre Européen de Calcul Atomique et Moléculaire , Université Paris-Sud , Bâtiment 506, 91405 , Orsay , France

3. c Dipartimento di Fisica , Università ‘La Sapienza’ , Piazzale Aldo Moro, 2, 00185 , Roma , Italy

4. d Los Alamos National Laboratory , Los Alamos , New Mexico , 87545 , USA

Publisher

Informa UK Limited

Subject

Physical and Theoretical Chemistry,Condensed Matter Physics,Molecular Biology,Biophysics

Link

https://www.tandfonline.com/doi/pdf/10.1080/00268979300100371

Reference17 articles.

1. Molecular dynamics simulations at constant pressure and/or temperature

2. Free energy evaluation in the canonical molecular dynamics ensemble

3. Molecular dynamics simulation of rigid molecules

4. Embedded-atom method: Derivation and application to impurities, surfaces, and other defects in metals

5. Constant pressure-constant temperature molecular dynamics for rigid and partially rigid molecular systems

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