Constant temperature molecular dynamics simulations by means of a stochastic collision model. II. The harmonic oscillator

Stefan Michael Kast; Jürgen Brickmann

doi:10.1063/1.471028

Constant temperature molecular dynamics simulations by means of a stochastic collision model. II. The harmonic oscillator

The Journal of Chemical Physics ◽

10.1063/1.471028 ◽

1996 ◽

Vol 104 (10) ◽

pp. 3732-3741 ◽

Cited By ~ 33

Author(s):

Stefan Michael Kast ◽

Jürgen Brickmann

Keyword(s):

Molecular Dynamics ◽

Harmonic Oscillator ◽

Molecular Dynamics Simulations ◽

Constant Temperature ◽

Collision Model ◽

Dynamics Simulations

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Comment on “Constant temperature molecular dynamics simulations by means of a stochastic collision model. II. The harmonic oscillator’’ [J. Chem. Phys. 104, 3732 (1996)]

The Journal of Chemical Physics ◽

10.1063/1.473974 ◽

1997 ◽

Vol 106 (4) ◽

pp. 1646-1647 ◽

Cited By ~ 4

Author(s):

David S. Sholl ◽

Kristen A. Fichthorn

Keyword(s):

Molecular Dynamics ◽

Harmonic Oscillator ◽

Molecular Dynamics Simulations ◽

Constant Temperature ◽

Chem Phys ◽

Collision Model ◽

Dynamics Simulations

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Comment on “Comment on ‘Constant temperature molecular dynamics simulations by means of a stochastic collision model. II. The harmonic oscillator’ [J. Chem. Phys. 104, 3732 (1996)]” [J. Chem. Phys. 106, 1646 (1997)]

The Journal of Chemical Physics ◽

10.1063/1.1644801 ◽

2004 ◽

Vol 120 (10) ◽

pp. 4991-4992

Author(s):

Stefan M. Kast

Keyword(s):

Molecular Dynamics ◽

Harmonic Oscillator ◽

Molecular Dynamics Simulations ◽

Constant Temperature ◽

Chem Phys ◽

Collision Model ◽

Dynamics Simulations

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Constant temperature molecular dynamics simulations by means of a stochastic collision model. I. Noninteracting particles

The Journal of Chemical Physics ◽

10.1063/1.466974 ◽

1994 ◽

Vol 100 (1) ◽

pp. 566-576 ◽

Cited By ~ 46

Author(s):

Stefan Michael Kast ◽

Kai Nicklas ◽

Hans‐Jürgen Bär ◽

Jürgen Brickmann

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulations ◽

Constant Temperature ◽

Collision Model ◽

Dynamics Simulations

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Molecular dynamics simulations of a fluid bilayer of dipalmitoylphosphatidylcholine at full hydration, constant pressure, and constant temperature

Biophysical Journal ◽

10.1016/s0006-3495(97)78845-3 ◽

1997 ◽

Vol 72 (5) ◽

pp. 2002-2013 ◽

Cited By ~ 1319

Author(s):

O. Berger ◽

O. Edholm ◽

F. Jähnig

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulations ◽

Constant Temperature ◽

Constant Pressure ◽

Dynamics Simulations

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Accurate and efficient integration for molecular dynamics simulations at constant temperature and pressure

The Journal of Chemical Physics ◽

10.1063/1.4825247 ◽

2013 ◽

Vol 139 (16) ◽

pp. 164106 ◽

Cited By ~ 79

Author(s):

Ross A. Lippert ◽

Cristian Predescu ◽

Douglas J. Ierardi ◽

Kenneth M. Mackenzie ◽

Michael P. Eastwood ◽

...

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulations ◽

Constant Temperature ◽

Efficient Integration ◽

Temperature And Pressure ◽

Dynamics Simulations

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Entropy Calculations of Single Molecules by Combining the Rigid–Rotor and Harmonic-Oscillator Approximations with Conformational Entropy Estimations from Molecular Dynamics Simulations

Journal of Chemical Theory and Computation ◽

10.1021/ct200216n ◽

2011 ◽

Vol 7 (8) ◽

pp. 2638-2653 ◽

Cited By ~ 41

Author(s):

Ernesto Suárez ◽

Natalia Díaz ◽

Dimas Suárez

Keyword(s):

Molecular Dynamics ◽

Harmonic Oscillator ◽

Molecular Dynamics Simulations ◽

Single Molecules ◽

Rigid Rotor ◽

Conformational Entropy ◽

Dynamics Simulations

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Structure of solid t‐butyl cyanide: A study by means of constant‐temperature, constant‐pressure, molecular‐dynamics simulations

The Journal of Chemical Physics ◽

10.1063/1.452843 ◽

1987 ◽

Vol 87 (8) ◽

pp. 4823-4828 ◽

Cited By ~ 6

Author(s):

Mauro Ferrario ◽

Michael L. Klein ◽

Ian R. McDonald

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulations ◽

Constant Temperature ◽

Constant Pressure ◽

Temperature Constant ◽

Dynamics Simulations

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Constant temperature molecular dynamics simulations of Si(100) and Ge(100): Equilibrium structure and short‐time behavior

The Journal of Chemical Physics ◽

10.1063/1.461968 ◽

1992 ◽

Vol 96 (4) ◽

pp. 3240-3250 ◽

Cited By ~ 39

Author(s):

Paul C. Weakliem ◽

Emily A. Carter

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulations ◽

Constant Temperature ◽

Equilibrium Structure ◽

Time Behavior ◽

Dynamics Simulations ◽

Short Time

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Multi-constraints in constant temperature molecular dynamics simulations

Chemical Physics Letters ◽

10.1016/j.cplett.2007.03.054 ◽

2007 ◽

Vol 439 (1-3) ◽

pp. 219-223 ◽

Cited By ~ 1

Author(s):

Wenfei Zhang

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulations ◽

Constant Temperature ◽

Dynamics Simulations

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Molecular Dynamics Simulations at Constant Temperature and Pressure

Computer Simulation in Materials Science ◽

10.1007/978-94-011-3546-7_2 ◽

1991 ◽

pp. 21-41 ◽

Cited By ~ 9

Author(s):

Shuichi Nosé

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulations ◽

Constant Temperature ◽

Temperature And Pressure ◽

Dynamics Simulations

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