✦ LIBER ✦

An extension of the canonical ensemble molecular dynamics method

✍ Scribed by Nosé, Shūichi

Book ID: 121305765
Publisher: Taylor and Francis Group
Year: 1986
Tongue: English
Weight: 252 KB
Volume: 57
Category: Article
ISSN: 0026-8976
DOI: 10.1080/00268978600100141

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📜 SIMILAR VOLUMES

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## Abstract An extended system Hamiltonian is proposed to perform molecular dynamics (MD) simulation in the grand canonical ensemble. The Hamiltonian is similar to the one proposed by Lynch and Pettitt (Lynch and Pettitt, J Chem Phys 1997, 107, 8594), which consists of the kinetic and potential ene

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