-
1
-
-
36849116054
-
Machine calculation of thermodynamic properties of a simple fluid at supercritical temperatures
-
McDonald, I. R.; Singer, K., Machine calculation of thermodynamic properties of a simple fluid at supercritical temperatures, J. Chem. Phys. 1967, 47, 4766-4772
-
(1967)
J. Chem. Phys
, vol.47
, pp. 4766-4772
-
-
McDonald, I.R.1
Singer, K.2
-
2
-
-
36849114798
-
Monte Carlo calculations for hard disks in the isothermal-isobaric ensemble
-
Wood, W. W., Monte Carlo calculations for hard disks in the isothermal-isobaric ensemble, J. Chem. Phys. 1968, 48, 415-434
-
(1968)
J. Chem. Phys
, vol.48
, pp. 415-434
-
-
Wood, W.W.1
-
3
-
-
36849108886
-
Monte Carlo study of the thermodynamics of electrolyte solutions
-
Card, D. N.; Valleau, J. P., Monte Carlo study of the thermodynamics of electrolyte solutions, J. Chem. Phys. 1970, 52, 6232-6240
-
(1970)
J. Chem. Phys
, vol.52
, pp. 6232-6240
-
-
Card, D.N.1
Valleau, J.P.2
-
4
-
-
5244304444
-
Efficient estimation of free energy differences from Monte Carlo data
-
Bennett, C. H., Efficient estimation of free energy differences from Monte Carlo data, J. Comp. Phys. 1976, 22, 245-268
-
(1976)
J. Comp. Phys
, vol.22
, pp. 245-268
-
-
Bennett, C.H.1
-
5
-
-
4243819810
-
New Monte Carlo technique for studying phase transitions
-
Ferrenberg, A. M.; Swendsen, R. H., New Monte Carlo technique for studying phase transitions, Phys. Rev. Lett. 1988, 61, 2635-2638
-
(1988)
Phys. Rev. Lett
, vol.61
, pp. 2635-2638
-
-
Ferrenberg, A.M.1
Swendsen, R.H.2
-
6
-
-
4243613377
-
Multicanonical ensemble: A new approach to simulate first-order phase transitions
-
Berg, B. A.; Neuhaus, T., Multicanonical ensemble: a new approach to simulate first-order phase transitions, Phys. Rev. Lett. 1992, 68, 9-12
-
(1992)
Phys. Rev. Lett
, vol.68
, pp. 9-12
-
-
Berg, B.A.1
Neuhaus, T.2
-
7
-
-
0000366719
-
Critical-point and coexistence-curve properties of the Lennard-Jones fluid: A finite-size scaling study
-
Wilding, N. B., Critical-point and coexistence-curve properties of the Lennard-Jones fluid: a finite-size scaling study, Phys. Rev. E 1995, 52, 602-611
-
(1995)
Phys. Rev. E
, vol.52
, pp. 602-611
-
-
Wilding, N.B.1
-
8
-
-
0032001458
-
Phase equilibria of lattice polymers from histogram reweighting Monte Carlo simulations
-
Panagiotopoulos, A. Z.; Wong, V.; Floriano, M. A., Phase equilibria of lattice polymers from histogram reweighting Monte Carlo simulations, Macromolecules 1998, 31, 912-918
-
(1998)
Macromolecules
, vol.31
, pp. 912-918
-
-
Panagiotopoulos, A.Z.1
Wong, V.2
Floriano, M.A.3
-
9
-
-
0031161833
-
Critical end point behavior in a binary fluid mixture
-
Wilding, N. B., Critical end point behavior in a binary fluid mixture, Phys. Rev. E 1997, 55, 6624-6631
-
(1997)
Phys. Rev. E
, vol.55
, pp. 6624-6631
-
-
Wilding, N.B.1
-
10
-
-
0000514861
-
Liquid-vapor phase behavior of a symmetrical binary fluid mixture
-
Wilding, N. B.; Schmid, F.; Nielaba, P., Liquid-vapor phase behavior of a symmetrical binary fluid mixture, Phys. Rev. E 1998, 58, 2201-2212
-
(1998)
Phys. Rev. E
, vol.58
, pp. 2201-2212
-
-
Wilding, N.B.1
Schmid, F.2
Nielaba, P.3
-
11
-
-
0000943447
-
Critical point and phase behavior of the pure fluid and a Lennard-Jones mixture
-
Potoff, J. J.; Panagiotopoulos, A. Z., Critical point and phase behavior of the pure fluid and a Lennard-Jones mixture, J. Chem. Phys. 1998, 109, 10914-10920
-
(1998)
J. Chem. Phys
, vol.109
, pp. 10914-10920
-
-
Potoff, J.J.1
Panagiotopoulos, A.Z.2
-
12
-
-
33646987405
-
Optimized Monte Carlo data analysis
-
Ferrenberg, A. M.; Swendsen, R. H., Optimized Monte Carlo data analysis, Phys. Rev. Lett. 1989, 63, 1195-1198
-
(1989)
Phys. Rev. Lett
, vol.63
, pp. 1195-1198
-
-
Ferrenberg, A.M.1
Swendsen, R.H.2
-
13
-
-
84986519238
-
The weighted histogram analysis method for free-energy calculations on biomolecules
-
Kumar, S.; Bouzida, D.; Swendsen, R. H.; Kollman, P. A.; Rosenberg, J. M., The weighted histogram analysis method for free-energy calculations on biomolecules, J. Comput. Chem. 1992, 13, 1011-1021
-
(1992)
J. Comput. Chem
, vol.13
, pp. 1011-1021
-
-
Kumar, S.1
Bouzida, D.2
Swendsen, R.H.3
Kollman, P.A.4
Rosenberg, J.M.5
-
15
-
-
0342929614
-
Nonphysical sampling distributions in Monte Carlo free energy estimation: Umbrella sampling
-
Torrie, G. M.; Valleau, J. P., Nonphysical sampling distributions in Monte Carlo free energy estimation: umbrella sampling, J. Comput. Phys. 1977, 23, 187-199
-
(1977)
J. Comput. Phys
, vol.23
, pp. 187-199
-
-
Torrie, G.M.1
Valleau, J.P.2
-
16
-
-
84986497803
-
Multidimensional free-energy calculations using the weighted histogram analysis method
-
Kumar, S.; Rosenberg, J. M.; Bouzida, D.; Swendsen, R. H.; Kollman, P. A., Multidimensional free-energy calculations using the weighted histogram analysis method, J. Comput. Chem. 1995, 16, 1339-1350
-
(1995)
J. Comput. Chem
, vol.16
, pp. 1339-1350
-
-
Kumar, S.1
Rosenberg, J.M.2
Bouzida, D.3
Swendsen, R.H.4
Kollman, P.A.5
-
17
-
-
4344606960
-
Multidimensional adaptive umbrella sampling: Applications to main chain and side chain peptide conformations
-
Bartels, C.; Karplus, M., Multidimensional adaptive umbrella sampling: applications to main chain and side chain peptide conformations, J. Comput. Chem. 1997, 18, 1450-1462
-
(1997)
J. Comput. Chem
, vol.18
, pp. 1450-1462
-
-
Bartels, C.1
Karplus, M.2
-
18
-
-
0042561885
-
Systematic and statistical error in histogram-based free energy calculations
-
Kobrak, M. N., Systematic and statistical error in histogram-based free energy calculations, J. Comput. Chem. 2003, 24, 1437-1446
-
(2003)
J. Comput. Chem
, vol.24
, pp. 1437-1446
-
-
Kobrak, M.N.1
-
20
-
-
0002061484
-
New Monte Carlo algorithm: Entropic sampling
-
Lee, J., New Monte Carlo algorithm: entropic sampling, Phys. Rev. Lett. 1993, 71, 211-214
-
(1993)
Phys. Rev. Lett
, vol.71
, pp. 211-214
-
-
Lee, J.1
-
21
-
-
6644221271
-
Efficient, multiple-range random walk algorithm to calculate the density of states
-
Wang, F.; Landau, D. P., Efficient, multiple-range random walk algorithm to calculate the density of states, Phys. Rev. Lett. 2001, 86, 2050-2053
-
(2001)
Phys. Rev. Lett
, vol.86
, pp. 2050-2053
-
-
Wang, F.1
Landau, D.P.2
-
22
-
-
39749147672
-
Determining the density of states for classical statistical models: A random walk algorithm to produce a flat histogram
-
Wang, F.; Landau, D. P., Determining the density of states for classical statistical models: a random walk algorithm to produce a flat histogram, Phys. Rev. E 2001, 64, 056101
-
(2001)
Phys. Rev. E
, vol.64
, pp. 056101
-
-
Wang, F.1
Landau, D.P.2
-
23
-
-
16444385400
-
Monte Carlo free energy estimates using non-Boltzmann sampling: Application to the sub-critical Lennard-Jones fluid
-
Torrie, G. M.; Valleau, J. P., Monte Carlo free energy estimates using non-Boltzmann sampling: application to the sub-critical Lennard-Jones fluid, Chem. Phys. Lett. 1974, 28, 578-581
-
(1974)
Chem. Phys. Lett
, vol.28
, pp. 578-581
-
-
Torrie, G.M.1
Valleau, J.P.2
-
24
-
-
41349116285
-
Generalization of the Wang-Landau method for off-lattice simulations
-
Shell, M. S.; Debenedetti, P. G.; Panagiotopoulos, A. Z., Generalization of the Wang-Landau method for off-lattice simulations, Phys. Rev. E 2002, 90, 056703
-
(2002)
Phys. Rev. E
, vol.90
, pp. 056703
-
-
Shell, M.S.1
Debenedetti, P.G.2
Panagiotopoulos, A.Z.3
-
25
-
-
0001193480
-
A study of the multicanonical Monte Carlo method
-
Smith, G. R.; Bruce, A. D., A study of the multicanonical Monte Carlo method, J. Phys. A 1995, 28, 6623-6643
-
(1995)
J. Phys. A
, vol.28
, pp. 6623-6643
-
-
Smith, G.R.1
Bruce, A.D.2
-
26
-
-
0036112383
-
Transition matrix Monte Carlo method
-
Wang, J. S.; Swendsen, R. H., Transition matrix Monte Carlo method, J. Stat. Phys. 2001, 106, 245-285
-
(2001)
J. Stat. Phys
, vol.106
, pp. 245-285
-
-
Wang, J.S.1
Swendsen, R.H.2
-
27
-
-
4043069497
-
Fast calculation of the density of states of a fluid by Monte Carlo simulations
-
Yan, Q.; de Pablo, J. J., Fast calculation of the density of states of a fluid by Monte Carlo simulations, Phys. Rev. Lett. 2003, 90, 035701
-
(2003)
Phys. Rev. Lett
, vol.90
, pp. 035701
-
-
Yan, Q.1
de Pablo, J.J.2
-
28
-
-
0344667538
-
An improved Monte Carlo method for direct calculation of the density of states
-
Shell, M. S.; Debenedetti, P. G.; Panagiotopoulos, A. Z., An improved Monte Carlo method for direct calculation of the density of states, J. Chem. Phys. 2003, 119, 9406-9411
-
(2003)
J. Chem. Phys
, vol.119
, pp. 9406-9411
-
-
Shell, M.S.1
Debenedetti, P.G.2
Panagiotopoulos, A.Z.3
-
29
-
-
0001629677
-
New approach to spin-glass simulations
-
Berg, B. A.; Celik, T., New approach to spin-glass simulations, Phys. Rev. Lett. 1992, 69, 2292-2295
-
(1992)
Phys. Rev. Lett
, vol.69
, pp. 2292-2295
-
-
Berg, B.A.1
Celik, T.2
-
30
-
-
0037157290
-
Density-of-states Monte Carlo method for simulation of fluids
-
Yan, Q.; Faller, R.; de Pablo, J. J., Density-of-states Monte Carlo method for simulation of fluids, J. Chem. Phys. 2002, 116, 8745-8749
-
(2002)
J. Chem. Phys
, vol.116
, pp. 8745-8749
-
-
Yan, Q.1
Faller, R.2
de Pablo, J.J.3
-
31
-
-
84953648015
-
New approach to Monte Carlo calculation of the free energy: Method of expanded ensembles
-
Lyubartsev, A.; Martsinovski, A.; Shevkunov, S., New approach to Monte Carlo calculation of the free energy: method of expanded ensembles, J. Chem. Phys. 1992, 96, 1776-1783
-
(1992)
J. Chem. Phys
, vol.96
, pp. 1776-1783
-
-
Lyubartsev, A.1
Martsinovski, A.2
Shevkunov, S.3
-
32
-
-
33644899039
-
Simulated tempering: A new Monte Carlo scheme
-
Marinari, E.; Parisi, G., Simulated tempering: a new Monte Carlo scheme, Europhys. Lett. 1992, 19, 451-458
-
(1992)
Europhys. Lett
, vol.19
, pp. 451-458
-
-
Marinari, E.1
Parisi, G.2
-
33
-
-
84950437936
-
Annealing markov chain Monte Carlo with applications to ancestral inference
-
Geyer, C. J.; Thompson, E. A., Annealing markov chain Monte Carlo with applications to ancestral inference, J. Am. Stat. Soc. 1995, 90, 909-920
-
(1995)
J. Am. Stat. Soc
, vol.90
, pp. 909-920
-
-
Geyer, C.J.1
Thompson, E.A.2
-
34
-
-
0036536011
-
Multicanonical parallel tempering
-
Faller, R.; Yan, Q. L.; de Pablo, J. J., Multicanonical parallel tempering, J. Chem. Phys. 2002, 116, 5419-5423
-
(2002)
J. Chem. Phys
, vol.116
, pp. 5419-5423
-
-
Faller, R.1
Yan, Q.L.2
de Pablo, J.J.3
-
35
-
-
2342634513
-
Prewetting transitions for a model argon on solid carbon dioxide system
-
Errington, J. R., Prewetting transitions for a model argon on solid carbon dioxide system, Langmuir 2004, 20, 3798-3804
-
(2004)
Langmuir
, vol.20
, pp. 3798-3804
-
-
Errington, J.R.1
-
36
-
-
41349117204
-
Combination of improved multibondic method and the Wang-Landau method
-
Yamaguchi, C.; Kawashima, N., Combination of improved multibondic method and the Wang-Landau method, Phys. Rev. E. 2002, 65, 056710
-
(2002)
Phys. Rev. E
, vol.65
, pp. 056710
-
-
Yamaguchi, C.1
Kawashima, N.2
-
37
-
-
0036341793
-
Flat histogram method of Wang-Landau and n-fold way
-
Schulz, B. J.; Binder, K.; Muller, M., Flat histogram method of Wang-Landau and n-fold way, Int. J. Mod. Phys. C 2002, 13, 477-494
-
(2002)
Int. J. Mod. Phys. C
, vol.13
, pp. 477-494
-
-
Schulz, B.J.1
Binder, K.2
Muller, M.3
-
38
-
-
0038735539
-
Flat histogram methods for quantum systems: Algorithms to overcome tunneling problems and calculate the free energy
-
Troyer, M.; Wessel, S.; Alet, F., Flat histogram methods for quantum systems: algorithms to overcome tunneling problems and calculate the free energy, Phys. Rev. Lett. 2003, 12, 120201
-
(2003)
Phys. Rev. Lett
, vol.12
, pp. 120201
-
-
Troyer, M.1
Wessel, S.2
Alet, F.3
-
39
-
-
7044247439
-
Determination of the interaction potential from the pair distribution function: An inverse Monte Carlo technique
-
Almarza, N. G.; Lomba, E., Determination of the interaction potential from the pair distribution function: an inverse Monte Carlo technique, Phys. Rev. E 2003, 68, 011202
-
(2003)
Phys. Rev. E
, vol.68
, pp. 011202
-
-
Almarza, N.G.1
Lomba, E.2
-
40
-
-
22244491267
-
Configurational temperature: Verification of Monte Carlo simulations
-
Butler, B. D.; Ayton, G.; Jepps, O. G.; Evans, D. J., Configurational temperature: verification of Monte Carlo simulations, J. Chem. Phys. 1998, 109, 6519-6522
-
(1998)
J. Chem. Phys
, vol.109
, pp. 6519-6522
-
-
Butler, B.D.1
Ayton, G.2
Jepps, O.G.3
Evans, D.J.4
-
41
-
-
27244439515
-
Understanding and improving the Wang-Landau algorithm
-
Zhou, C.; Bhatt, R. N., Understanding and improving the Wang-Landau algorithm, Phys. Rev. E 2005, 72, 025701
-
(2005)
Phys. Rev. E
, vol.72
, pp. 025701
-
-
Zhou, C.1
Bhatt, R.N.2
-
42
-
-
4243643409
-
Multicanonical Monte Carlo study of solid-solid phase coexistence in a model colloid
-
Smith, G. R.; Bruce, A. D., Multicanonical Monte Carlo study of solid-solid phase coexistence in a model colloid, Phys. Rev. E 1996, 53, 6530-6543
-
(1996)
Phys. Rev. E
, vol.53
, pp. 6530-6543
-
-
Smith, G.R.1
Bruce, A.D.2
-
43
-
-
0030365310
-
Broad histogram method
-
de Oliveira, P. M. C.; Penna, T. J. P.; Herrmann, H. J., Broad histogram method, Braz. J. Phys. 1996, 26, 677-683
-
(1996)
Braz. J. Phys
, vol.26
, pp. 677-683
-
-
de Oliveira, P.M.C.1
Penna, T.J.P.2
Herrmann, H.J.3
-
44
-
-
0032297316
-
Broad histogram relation is exact
-
de Oliveira, P.M. C., Broad histogram relation is exact, Eur. Phys. J. B 1998, 6, 111-115
-
(1998)
Eur. Phys. J. B
, vol.6
, pp. 111-115
-
-
de Oliveira, P.M.C.1
-
45
-
-
17944393733
-
Transition matrix Monte Carlo reweighting and dynamics
-
Wang, J. S.; Tay, T. K.; Swendsen, R. H., Transition matrix Monte Carlo reweighting and dynamics, Phys. Rev. Lett. 1999, 82, 476-479
-
(1999)
Phys. Rev. Lett
, vol.82
, pp. 476-479
-
-
Wang, J.S.1
Tay, T.K.2
Swendsen, R.H.3
-
46
-
-
0034341458
-
Monte Carlo transition dynamics and variance reduction
-
Fitzgerald, M.; Picard, R. R.; Silver, R. N., Monte Carlo transition dynamics and variance reduction, J. Stat. Phys. 1999, 98, 321-345
-
(1999)
J. Stat. Phys
, vol.98
, pp. 321-345
-
-
Fitzgerald, M.1
Picard, R.R.2
Silver, R.N.3
-
47
-
-
0033121435
-
Canonical transition probabilities for adaptive metropolis simulation
-
Fitzgerald, M.; Picard, R. R.; Silver, R. N., Canonical transition probabilities for adaptive metropolis simulation, Eur. Phys. Lett. 1999, 46, 282-287
-
(1999)
Eur. Phys. Lett
, vol.46
, pp. 282-287
-
-
Fitzgerald, M.1
Picard, R.R.2
Silver, R.N.3
-
48
-
-
0037595370
-
Direct calculation of liquid-vapor phase equilibria from transition matrix Monte Carlo simulation
-
Errington, J.R., Direct calculation of liquid-vapor phase equilibria from transition matrix Monte Carlo simulation, J. Chem. Phys. 2003, 118, 9915-9925
-
(2003)
J. Chem. Phys
, vol.118
, pp. 9915-9925
-
-
Errington, J.R.1
-
49
-
-
0037691860
-
Evaluating surface tension using grand-canonical transition-matrix Monte Carlo simulation and finite-size scaling
-
Errington, J. R., Evaluating surface tension using grand-canonical transition-matrix Monte Carlo simulation and finite-size scaling, Phys. Rev. E 2003, 67, 012102
-
(2003)
Phys. Rev. E
, vol.67
, pp. 012102
-
-
Errington, J.R.1
-
50
-
-
0345790274
-
Expanded ensemble and replica exchange methods for simulation of protein-like systems
-
Fenwick, M. K.; Escobedo, F. A., Expanded ensemble and replica exchange methods for simulation of protein-like systems, J. Chem. Phys. 2003, 119, 11998-12010
-
(2003)
J. Chem. Phys
, vol.119
, pp. 11998-12010
-
-
Fenwick, M.K.1
Escobedo, F.A.2
-
51
-
-
1642273052
-
On the use of Bennett's acceptance ratio method in multi-canonical-type simulations
-
Fenwick, M. K.; Escobedo, F. A., On the use of Bennett's acceptance ratio method in multi-canonical-type simulations, J. Chem. Phys. 2004, 120, 3066-3074
-
(2004)
J. Chem. Phys
, vol.120
, pp. 3066-3074
-
-
Fenwick, M.K.1
Escobedo, F.A.2
-
52
-
-
0037058473
-
Sampling along reaction coordinates with the Wang-Landau method
-
Calvo, F., Sampling along reaction coordinates with the Wang-Landau method, Mol. Phys. 2002, 100, 3421-3427
-
(2002)
Mol. Phys
, vol.100
, pp. 3421-3427
-
-
Calvo, F.1
|