Parametrizing linear generalized Langevin dynamics from explicit molecular dynamics simulations

Fabian Gottwald; Sven Karsten; Sergei D. Ivanov; Oliver Kühn

doi:10.1063/1.4922941

Parametrizing linear generalized Langevin dynamics from explicit molecular dynamics simulations

The Journal of Chemical Physics ◽

10.1063/1.4922941 ◽

2015 ◽

Vol 142 (24) ◽

pp. 244110 ◽

Cited By ~ 13

Author(s):

Fabian Gottwald ◽

Sven Karsten ◽

Sergei D. Ivanov ◽

Oliver Kühn

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulations ◽

Langevin Dynamics ◽

Dynamics Simulations ◽

Generalized Langevin Dynamics

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Comparison between self-guided Langevin dynamics and molecular dynamics simulations for structure refinement of protein loop conformations

Journal of Computational Chemistry ◽

10.1002/jcc.21883 ◽

2011 ◽

Vol 32 (14) ◽

pp. 3014-3022 ◽

Cited By ~ 22

Author(s):

Mark A. Olson ◽

Sidhartha Chaudhury ◽

Michael S. Lee

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulations ◽

Structure Refinement ◽

Langevin Dynamics ◽

Loop Conformations ◽

Dynamics Simulations

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Non-Gaussian Fluctuations and Non-Markovian Effects in the Nuclear Fusion Process: Langevin Dynamics Emerging from Quantum Molecular Dynamics Simulations

Physical Review Letters ◽

10.1103/physrevlett.111.012501 ◽

2013 ◽

Vol 111 (1) ◽

Cited By ~ 54

Author(s):

Kai Wen ◽

Fumihiko Sakata ◽

Zhu-Xia Li ◽

Xi-Zhen Wu ◽

Ying-Xun Zhang ◽

...

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulations ◽

Nuclear Fusion ◽

Langevin Dynamics ◽

Fusion Process ◽

Quantum Molecular Dynamics ◽

Gaussian Fluctuations ◽

Non Gaussian ◽

Dynamics Simulations

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Structure of phosphorus-selenium glasses: results from ab initio molecular dynamics simulations

Molecular Physics ◽

10.1080/002689700162045 ◽

2000 ◽

Vol 98 (11) ◽

pp. 701-707

Author(s):

Alessandro Sergi, Mauro Ferrario, Francesco Bu

Keyword(s):

Molecular Dynamics ◽

Ab Initio ◽

Molecular Dynamics Simulations ◽

Ab Initio Molecular Dynamics ◽

Dynamics Simulations

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Tracer diffusion in perfectly aligned liquid crystalline phases Kinetic theory and molecular dynamics simulations

Molecular Physics ◽

10.1080/00268979709482789 ◽

1997 ◽

Vol 91 (6) ◽

pp. 993-1003 ◽

Cited By ~ 1

Author(s):

ANJALI KHARE ◽

DAVID KOFKE ◽

GLENN EVANS

Keyword(s):

Molecular Dynamics ◽

Kinetic Theory ◽

Molecular Dynamics Simulations ◽

Liquid Crystalline ◽

Tracer Diffusion ◽

Crystalline Phases ◽

Liquid Crystalline Phases ◽

Dynamics Simulations

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ERRATUM Molecular dynamics simulations of liquid crystal phases using atomistic potentials

Molecular Physics ◽

10.1080/002689798167430 ◽

1998 ◽

Vol 95 (1) ◽

pp. 121-121

Author(s):

CARL MCBRIDE MARK R. WILSON JUDITH A. K.

Keyword(s):

Molecular Dynamics ◽

Liquid Crystal ◽

Molecular Dynamics Simulations ◽

Crystal Phases ◽

Dynamics Simulations ◽

Liquid Crystal Phases

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Nonequilibrium Molecular Dynamics Simulations of 3-Methylhexane: The Effect of Inter- and Intramolecular Potential Models on Simulated Viscosity

The Journal of Physical Chemistry A ◽

10.1021/jp971476g ◽

1997 ◽

Vol 101 (27) ◽

pp. 5026-5026

Author(s):

Maija Lahtela ◽

Tapani A. Pakkanen ◽

Richard L. Rowley

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulations ◽

Nonequilibrium Molecular Dynamics ◽

Potential Models ◽

Dynamics Simulations

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Assessment of all-atom potentials for modeling membranes: molecular dynamics simulations of solid and liquid alkanes and crystals of phospholipid fragments

Journal de Chimie Physique ◽

10.1051/jcp/1997941482 ◽

1997 ◽

Vol 94 ◽

pp. 1482-1502 ◽

Cited By ~ 27

Author(s):

DJ Tobias ◽

K Tu ◽

ML Klein

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulations ◽

Dynamics Simulations ◽

Liquid Alkanes

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Molecular Dynamics Simulations of Retrograde Condensation in Nanoporous Shale

Proceedings of the 3rd Unconventional Resources Technology Conference ◽

10.15530/urtec-2015-2172738 ◽

2015 ◽

Cited By ~ 1

Author(s):

William R. Welch ◽

Mohammad Piri

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulations ◽

Retrograde Condensation ◽

Dynamics Simulations

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MOLECULAR DYNAMICS SIMULATIONS OF RAYLEIGH AND FIRST WIND-INDUCED BREAKUP

Atomization and Sprays ◽

10.1615/atomizspr.2011002906 ◽

2011 ◽

Vol 21 (4) ◽

pp. 275-281 ◽

Cited By ~ 4

Author(s):

Kurt F. Ludwig ◽

Michael Micci

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulations ◽

Dynamics Simulations

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MOLECULAR DYNAMICS SIMULATIONS OF ATOMIZATION AND SPRAY PHENOMENA

Atomization and Sprays ◽

10.1615/atomizspr.v11.i4.40 ◽

2001 ◽

Vol 11 (4) ◽

pp. 351-363 ◽

Cited By ~ 7

Author(s):

Teresa L. Kaltz ◽

Lyle N. Long

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulations ◽

Dynamics Simulations

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