Time-reversible molecular dynamics algorithms with bond constraints

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@article{730874d0866011deac5e000ea68e967b,

title = "Time-reversible molecular dynamics algorithms with bond constraints",

keywords = "bonds (chemical), iterative methods, molecular dynamics method, organic compounds, statistical analysis",

author = "S{\o}ren Toxv{\ae}rd and Ole Heilmann and Trond Ingebrigtsen and Thomas Schr{\o}der and Dyre, {J. C.}",

year = "2009",

doi = "10.1063/1.3194785",

language = "English",

volume = "131",

pages = "064102--1 til 064102--9",

journal = "Journal of Chemical Physics",

issn = "0021-9606",

publisher = "American Institute of Physics",

number = "6",

}

TY - JOUR

T1 - Time-reversible molecular dynamics algorithms with bond constraints

AU - Toxværd, Søren

AU - Heilmann, Ole

AU - Ingebrigtsen, Trond

AU - Schrøder, Thomas

AU - Dyre, J. C.

PY - 2009

Y1 - 2009

KW - bonds (chemical)

KW - iterative methods

KW - molecular dynamics method

KW - organic compounds

KW - statistical analysis

U2 - 10.1063/1.3194785

DO - 10.1063/1.3194785

M3 - Journal article

SN - 0021-9606

VL - 131

SP - 064102-1 til 064102-9

JO - Journal of Chemical Physics

JF - Journal of Chemical Physics

IS - 6

ER -