-
1
-
-
84943502952
-
A molecular dynamics method for simulations in the canonical ensemble
-
S. Nosé. A molecular dynamics method for simulations in the canonical ensemble. Mol. Phys., 52, 255 (1984a).
-
(1984)
Mol. Phys
, vol.52
, pp. 255
-
-
Nosé, S.1
-
2
-
-
34547809547
-
A unified formulation of the constant-temperature molecular dynamics methods
-
S. Nosé. A unified formulation of the constant-temperature molecular dynamics methods. J. Chem. Phys., 81, 511 (1984b).
-
(1984)
J. Chem. Phys
, vol.81
, pp. 511
-
-
Nosé, S.1
-
3
-
-
36749107785
-
Molecular dynamics simulations at constant pressure and/or temperature
-
H.C. Andersen. Molecular dynamics simulations at constant pressure and/or temperature. J. Chem. Phys., 72, 2384 (1980).
-
(1980)
J. Chem. Phys
, vol.72
, pp. 2384
-
-
Andersen, H.C.1
-
4
-
-
0001538909
-
Canonical dynamics - equilibrium phase-space distributions
-
W.G. Hoover. Canonical dynamics - equilibrium phase-space distributions. Phys. Rev. A, 31, 1695 (1985).
-
(1985)
Phys. Rev. A
, vol.31
, pp. 1695
-
-
Hoover, W.G.1
-
5
-
-
33947416664
-
-
W.G. Hoover. Computational Statistical Mechanics, 11 of Studies in Modern Thermodynamics, Elsevier, (1991). ISBN 0-444-88192-1. Available online at http://williamhoover.info/book.pdf.
-
W.G. Hoover. Computational Statistical Mechanics, Volume 11 of Studies in Modern Thermodynamics, Elsevier, (1991). ISBN 0-444-88192-1. Available online at http://williamhoover.info/book.pdf.
-
-
-
-
6
-
-
0346150038
-
On the effects of assuming flow profiles in nonequilibrium simulations
-
J. Delhommelle, J. Petravic, D.J. Evans. On the effects of assuming flow profiles in nonequilibrium simulations. J. Chem. Phys., 119, 11005 (2003).
-
(2003)
J. Chem. Phys
, vol.119
, pp. 11005
-
-
Delhommelle, J.1
Petravic, J.2
Evans, D.J.3
-
7
-
-
26144459751
-
Shear thickening and turbulence in simple fluids
-
D.J. Evans, G.P. Morriss. Shear thickening and turbulence in simple fluids. Phys. Rev. Lett., 56, 2172 (1986).
-
(1986)
Phys. Rev. Lett
, vol.56
, pp. 2172
-
-
Evans, D.J.1
Morriss, G.P.2
-
8
-
-
0001209343
-
Conditions for the existence of a reentrant solid phase in a sheared atomic fluid
-
D.J. Evans, S.T. Cui, H.J.M. Hanley, G.C. Straty. Conditions for the existence of a reentrant solid phase in a sheared atomic fluid. Phys. Rev. A, 46, 6731 (1992).
-
(1992)
Phys. Rev. A
, vol.46
, pp. 6731
-
-
Evans, D.J.1
Cui, S.T.2
Hanley, H.J.M.3
Straty, G.C.4
-
9
-
-
0000074638
-
Thermostats for molecular fluids undergoing shear flow: Application to liquid chlorine
-
K.P. Travis, P.J. Daivis, D.J. Evans. Thermostats for molecular fluids undergoing shear flow: application to liquid chlorine. J. Chem. Phys., 103, 10638 (1995).
-
(1995)
J. Chem. Phys
, vol.103
, pp. 10638
-
-
Travis, K.P.1
Daivis, P.J.2
Evans, D.J.3
-
10
-
-
18644364450
-
From molecular dynamics to hydrodynamics: A novel Galilean invariant thermostat
-
S.D. Stoyanov, R.D. Groot. From molecular dynamics to hydrodynamics: a novel Galilean invariant thermostat. J. Chem. Phys., 122, 114112 (2005).
-
(2005)
J. Chem. Phys
, vol.122
, pp. 114112
-
-
Stoyanov, S.D.1
Groot, R.D.2
-
11
-
-
26444476444
-
A configurational temperature Nose-Hoover thermostat
-
C. Braga, K.P. Travis. A configurational temperature Nose-Hoover thermostat. J. Chem. Phys., 123, 134101/1 (2005).
-
(2005)
J. Chem. Phys
, vol.123
, pp. 134101-134101
-
-
Braga, C.1
Travis, K.P.2
-
12
-
-
84950109965
-
Simulating microscopic hydrodynamic phenomena with dissipative particle dynamics
-
P.J. Hoogerbrugge, J.M.V.A. Koelman. Simulating microscopic hydrodynamic phenomena with dissipative particle dynamics. Eumphys. Lett., 19, 155 (1992).
-
(1992)
Eumphys. Lett
, vol.19
, pp. 155
-
-
Hoogerbrugge, P.J.1
Koelman, J.M.V.A.2
-
13
-
-
84950126426
-
Dynamic simulations of hard-sphere suspensions under steady shear
-
J.M.V.A. Koelman, P.J. Hoogerbrugge. Dynamic simulations of hard-sphere suspensions under steady shear. Eurvphys. Lett., 21, 363 (1993).
-
(1993)
Eurvphys. Lett
, vol.21
, pp. 363
-
-
Koelman, J.M.V.A.1
Hoogerbrugge, P.J.2
-
14
-
-
84956259119
-
Statistical mechanics of dissipative particle dynamics
-
P. Espanol, P. Warren. Statistical mechanics of dissipative particle dynamics. Eumphys. Lett., 30, 191 (1995).
-
(1995)
Eumphys. Lett
, vol.30
, pp. 191
-
-
Espanol, P.1
Warren, P.2
-
15
-
-
0033546455
-
An alternative approach to dissipative particle dynamics
-
C.P. Lowe. An alternative approach to dissipative particle dynamics. Eumphys. Lett., 47, 145 (1999).
-
(1999)
Eumphys. Lett
, vol.47
, pp. 145
-
-
Lowe, C.P.1
-
16
-
-
0346106368
-
Competition between domain growth and interfacial melting
-
G. Besold, O.G. Mouritsen. Competition between domain growth and interfacial melting. Comput. Mater. Sci., 18, 225 (2000).
-
(2000)
Comput. Mater. Sci
, vol.18
, pp. 225
-
-
Besold, G.1
Mouritsen, O.G.2
-
18
-
-
36449000062
-
Nose-Hoover chains: The canonical ensemble via continuous dynamics
-
G. Martyna, M.L. Klein, M. Tuckerman. Nose-Hoover chains: the canonical ensemble via continuous dynamics. J. Chem. Phys., 97, 2635 (1992).
-
(1992)
J. Chem. Phys
, vol.97
, pp. 2635
-
-
Martyna, G.1
Klein, M.L.2
Tuckerman, M.3
-
19
-
-
36449003554
-
Constant-pressure molecular-dynamics algorithms
-
G.J. Martyna, D.J. Tobias, M.L. Klein. Constant-pressure molecular-dynamics algorithms. J. Chem. Phys., 101, 4177 (1994).
-
(1994)
J. Chem. Phys
, vol.101
, pp. 4177
-
-
Martyna, G.J.1
Tobias, D.J.2
Klein, M.L.3
-
20
-
-
0000026966
-
Explicit reversible integrators for extended systems dynamics
-
G.J. Martyna, M.E. Tuckerman, D.J. Tobias, M.L. Klein. Explicit reversible integrators for extended systems dynamics. Mol. Phys., 87, 1117 (1996).
-
(1996)
Mol. Phys
, vol.87
, pp. 1117
-
-
Martyna, G.J.1
Tuckerman, M.E.2
Tobias, D.J.3
Klein, M.L.4
-
21
-
-
36849131461
-
Classical and quantum mechanical hypervirial theorems
-
J.O. Hirschfelder. Classical and quantum mechanical hypervirial theorems. J. Chem. Phys., 33, 1462 (1960).
-
(1960)
J. Chem. Phys
, vol.33
, pp. 1462
-
-
Hirschfelder, J.O.1
-
22
-
-
0001112302
-
Dynamical approach to temperature
-
H.H. Rugh. Dynamical approach to temperature. Phys. Rev. Lett., 78, 772 (1997).
-
(1997)
Phys. Rev. Lett
, vol.78
, pp. 772
-
-
Rugh, H.H.1
-
23
-
-
22244491267
-
Configurational temperature: Verification of Monte Carlo simulations
-
B.D. Butler, G. Ayton, O.G. Jepps, D.J. Evans. Configurational temperature: verification of Monte Carlo simulations. J. Chem. Phys., 109, 6519 (1998).
-
(1998)
J. Chem. Phys
, vol.109
, pp. 6519
-
-
Butler, B.D.1
Ayton, G.2
Jepps, O.G.3
Evans, D.J.4
-
24
-
-
2542444786
-
Configurational temperature of charge-stabilized colloidal monolayers
-
Y.L. Han, D.G. Grier. Configurational temperature of charge-stabilized colloidal monolayers. Phys. Rev. Lett., 92, 148301 (2004).
-
(2004)
Phys. Rev. Lett
, vol.92
, pp. 148301
-
-
Han, Y.L.1
Grier, D.G.2
-
25
-
-
22944451795
-
Configurational temperatures and interactions in charge-stabilized colloid
-
Y.L. Han, D.G. Grier. Configurational temperatures and interactions in charge-stabilized colloid. J. Chem. Phys., 122, 064907 (2005).
-
(2005)
J. Chem. Phys
, vol.122
, pp. 064907
-
-
Han, Y.L.1
Grier, D.G.2
-
26
-
-
33644886600
-
Configurational temperature in membrane simulations using dissipative particle dynamics
-
M.P. Allen. Configurational temperature in membrane simulations using dissipative particle dynamics. J. Phys. Chem. B, 110, 3823 (2006).
-
(2006)
J. Phys. Chem. B
, vol.110
, pp. 3823
-
-
Allen, M.P.1
-
27
-
-
0035841890
-
Configurational temperature thermostat for fluids undergoing shear flow: Application to liquid chlorine
-
J. Delhommelle, D.J. Evans. Configurational temperature thermostat for fluids undergoing shear flow: application to liquid chlorine. Mol. Phys., 99, 1825 (2001).
-
(2001)
Mol. Phys
, vol.99
, pp. 1825
-
-
Delhommelle, J.1
Evans, D.J.2
-
28
-
-
5544242655
-
Dissipative particle dynamics: Bridging the gap between atomistic and mesoscopic simulation
-
R.D. Groot, P.B. Warren. Dissipative particle dynamics: bridging the gap between atomistic and mesoscopic simulation. J. Chem. Phys., 107, 4423 (1997).
-
(1997)
J. Chem. Phys
, vol.107
, pp. 4423
-
-
Groot, R.D.1
Warren, P.B.2
-
29
-
-
11144301772
-
Can such long time steps really be used in dissipative particle dynamics simulations?
-
B. Hafskjold, C.C. Liew, W. Shinoda. Can such long time steps really be used in dissipative particle dynamics simulations? Mol. Simul., 30, 879 (2004).
-
(2004)
Mol. Simul
, vol.30
, pp. 879
-
-
Hafskjold, B.1
Liew, C.C.2
Shinoda, W.3
-
30
-
-
0037044173
-
Equilibrium structure and lateral stress distribution of amphiphilic bilayers from dissipative particle dynamics simulations
-
J.C. Shillcock, R. Lipowsky. Equilibrium structure and lateral stress distribution of amphiphilic bilayers from dissipative particle dynamics simulations. J. Chem. Phys., 117, 5048 (2002).
-
(2002)
J. Chem. Phys
, vol.117
, pp. 5048
-
-
Shillcock, J.C.1
Lipowsky, R.2
-
31
-
-
34548057237
-
Artifacts in dynamical simulations of coarse-grained model lipid bilayers
-
A.F. Jakobsen, O.G. Mouritsen, G. Besold. Artifacts in dynamical simulations of coarse-grained model lipid bilayers. J. Chem. Phys., 122, 204901 (2005).
-
(2005)
J. Chem. Phys
, vol.122
, pp. 204901
-
-
Jakobsen, A.F.1
Mouritsen, O.G.2
Besold, G.3
-
32
-
-
34547139383
-
Multiple time step update schemes for dissipative particle dynamics
-
A.F. Jakobsen, G. Besold, O.G. Mouritsen. Multiple time step update schemes for dissipative particle dynamics. J. Chem. Phys., 124, 094104 (2006).
-
(2006)
J. Chem. Phys
, vol.124
, pp. 094104
-
-
Jakobsen, A.F.1
Besold, G.2
Mouritsen, O.G.3
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