-
1
-
-
0031614989
-
Results on finite density QCD
-
doi:10.1016/S0920-5632(97)00484-2)
-
Barbour, I. M., Morrison, S. E., Klepfish, E. G., Kogut, J. B. & Lombardo, M. P. 1998 Results on finite density QCD. Nucl. Phys. B 60, 220-233. (doi:10.1016/S0920-5632(97)00484-2)
-
(1998)
Nucl. Phys. B
, vol.60
, pp. 220-233
-
-
Barbour, I.M.1
Morrison, S.E.2
Klepfish, E.G.3
Kogut, J.B.4
Lombardo, M.P.5
-
2
-
-
67650477115
-
Reconstructing the equilibrium Boltzmann distribution from well-tempered metadynamics
-
doi:10.1002/ jcc.21305)
-
Bonomi, M., Barducci, A. & Parrinello, M. 2009 Reconstructing the equilibrium Boltzmann distribution from well-tempered metadynamics. J. Comp. Chem. 30, 1615-1621. (doi:10.1002/ jcc.21305)
-
(2009)
J. Comp. Chem.
, vol.30
, pp. 1615-1621
-
-
Bonomi, M.1
Barducci, A.2
Parrinello, M.3
-
3
-
-
33846086933
-
Canonical sampling through velocity rescaling
-
doi:10.1063/1.2408420)
-
Bussi, G., Donadio, D. & Parrinello, M. 2007 Canonical sampling through velocity rescaling. J. Chem. Phys. 126, 014101. (doi:10.1063/1.2408420)
-
(2007)
J. Chem. Phys.
, vol.126
, pp. 014101
-
-
Bussi, G.1
Donadio, D.2
Parrinello, M.3
-
4
-
-
11944260941
-
Path integrals in the theory of condensed helium
-
doi:10.1103/RevModPhys.67.279)
-
Ceperley, D. M. 1995 Path integrals in the theory of condensed helium. Rev. Mod. Phys. 67, 279-355. (doi:10.1103/RevModPhys.67.279)
-
(1995)
Rev. Mod. Phys.
, vol.67
, pp. 279-355
-
-
Ceperley, D.M.1
-
5
-
-
77957738954
-
Efficient stochastic thermostatting of path integral molecular dynamics
-
doi:10.1063/1.3489925)
-
Ceriotti, M., Parrinello, M., Markland, T. E. & Manolopoulos, D. E. 2010 Efficient stochastic thermostatting of path integral molecular dynamics. J. Chem. Phys. 133, 124104. (doi:10.1063/1.3489925)
-
(2010)
J. Chem. Phys.
, vol.133
, pp. 124104
-
-
Ceriotti, M.1
Parrinello, M.2
Markland, T.E.3
Manolopoulos, D.E.4
-
6
-
-
79952078721
-
Accelerating the convergence of path integral dynamics with a generalized Langevin equation
-
doi:10.1063/1.3556661)
-
Ceriotti, M., Manolopoulos, D. E. & Parrinello, M. 2011 Accelerating the convergence of path integral dynamics with a generalized Langevin equation. J. Chem. Phys. 134, 084104. (doi:10.1063/1.3556661)
-
(2011)
J. Chem. Phys.
, vol.134
, pp. 084104
-
-
Ceriotti, M.1
Manolopoulos, D.E.2
Parrinello, M.3
-
7
-
-
33645931176
-
Exploiting the isomorphism between quantum theory and classical statistical mechanics of polyatomic fluids
-
doi:10.1063/1.441588
-
Chandler, D. & Wolynes, P. G. 1981 Exploiting the isomorphism between quantum theory and classical statistical mechanics of polyatomic fluids. J. Chem. Phys. 74, 4078-4095. (doi:10.1063/ 1.441588)
-
(1981)
J. Chem. Phys.
, vol.74
, pp. 4078-4095
-
-
Chandler, D.1
Wolynes, P.G.2
-
9
-
-
33747492396
-
A fundamental theorem on the structure of symplectic integrators
-
DOI 10.1016/j.physleta.2006.02.004, PII S0375960106002143
-
Chin, S. A. 2006 A fundamental theorem on the structure of symplectic integrators. Phys. Lett. A 354, 373-376. (doi:10.1016/j.physleta.2006.02.004) (Pubitemid 44255760)
-
(2006)
Physics Letters, Section A: General, Atomic and Solid State Physics
, vol.354
, Issue.5-6
, pp. 373-376
-
-
Chin, S.A.1
-
10
-
-
4243137056
-
Hybrid monte carlo
-
doi:10.1016/0370-2693(87)91197-X)
-
Duane, S., Kennedy, A. D., Pendleton, B. J. & Roweth, D. 1987 Hybrid Monte Carlo. Phys. Lett. B 195, 216-222. (doi:10.1016/0370-2693(87)91197-X)
-
(1987)
Phys. Lett. B
, vol.195
, pp. 216-222
-
-
Duane, S.1
Kennedy, A.D.2
Pendleton, B.J.3
Roweth, D.4
-
11
-
-
84887135566
-
The sum of log-normal probability distributions in scatter transmission systems
-
doi:10.1109/TCOM.1960.1097606)
-
Fenton, L. 1960 The sum of log-normal probability distributions in scatter transmission systems. IRE Trans. Comm. Syst. 8, 57-67. (doi:10.1109/TCOM.1960.1097606)
-
(1960)
IRE Trans. Comm. Syst.
, vol.8
, pp. 57-67
-
-
Fenton, L.1
-
13
-
-
0037118119
-
A New method to study lattice QCD at finite temperature and chemical potential
-
doi:10.1016/S0370-2693(02)01583-6)
-
Fodor, Z. & Katz, S. D. 2002 A New method to study lattice QCD at finite temperature and chemical potential. Phys. Lett. B 534, 87-92. (doi:10.1016/S0370-2693(02)01583-6)
-
(2002)
Phys. Lett. B
, vol.534
, pp. 87-92
-
-
Fodor, Z.1
Katz, S.D.2
-
15
-
-
67650770626
-
Competing quantum effects in the dynamics of a flexible water model
-
doi:10.1063/1.3167790)
-
Habershon, S., Markland, T. E. & Manolopoulos, D. E. 2009 Competing quantum effects in the dynamics of a flexible water model. J. Chem. Phys. 131, 024501. (doi:10.1063/1.3167790)
-
(2009)
J. Chem. Phys.
, vol.131
, pp. 024501
-
-
Habershon, S.1
Markland, T.E.2
Manolopoulos, D.E.3
-
16
-
-
77956890234
-
Monte carlo sampling methods using Markov chains and their applications
-
doi:10.1093/biomet/57.1.97)
-
Hastings, W. K. 1970 Monte carlo sampling methods using Markov chains and their applications. Biometrika 57, 97-109. (doi:10.1093/biomet/57.1.97)
-
(1970)
Biometrika
, vol.57
, pp. 97-109
-
-
Hastings, W.K.1
-
17
-
-
0035505130
-
Applications of higher order composite factorization schemes in imaginary time path integral simulations
-
DOI 10.1063/1.1410117
-
Jang, S., Jang, S. & Voth, G. A. 2001 Applications of higher order composite factorization schemes in imaginary time path integral simulations. J. Chem. Phys. 115, 7832-7842. (doi:10.1063/ 1.1410117) (Pubitemid 33080501)
-
(2001)
Journal of Chemical Physics
, vol.115
, Issue.17
, pp. 7832-7842
-
-
Jang, S.1
Jang, S.2
Voth, G.A.3
-
18
-
-
84986519238
-
The weighted histogram analysis method for free-energy calculations on biomolecules. I. The method
-
doi:10.1002/jcc.540130812)
-
Kumar, S., Rosenberg, J. M., Bouzida, D., Swendsen, R. H. & Kollman, P. A. 1992 The weighted histogram analysis method for free-energy calculations on biomolecules. I. The method. J. Comp. Chem. 13, 1011-1021. (doi:10.1002/jcc.540130812)
-
(1992)
J. Comp. Chem.
, vol.13
, pp. 1011-1021
-
-
Kumar, S.1
Rosenberg, J.M.2
Bouzida, D.3
Swendsen, R.H.4
Kollman, P.A.5
-
19
-
-
0001602438
-
High-order correction to the Trotter expansion for use in computer simulation
-
doi:10.1063/1.452653)
-
Li, X.-P. & Broughton, J. Q. 1987 High-order correction to the Trotter expansion for use in computer simulation. J. Chem. Phys. 86, 5094-5100. (doi:10.1063/1.452653)
-
(1987)
J. Chem. Phys.
, vol.86
, pp. 5094-5100
-
-
Li, X.-P.1
Broughton, J.Q.2
-
20
-
-
53549133093
-
A refined ring polymer contraction scheme for systems with electrostatic interactions
-
doi:10.1016/ j.cplett.2008.09.019)
-
Markland, T. E. & Manolopoulos, D. E. 2008 A refined ring polymer contraction scheme for systems with electrostatic interactions. Chem. Phys. Lett. 464, 256-261. (doi:10.1016/ j.cplett.2008.09.019)
-
(2008)
Chem. Phys. Lett.
, vol.464
, pp. 256-261
-
-
Markland, T.E.1
Manolopoulos, D.E.2
-
21
-
-
5744249209
-
Equation of state calculations by fast computing machines
-
doi:10.1063/1.1699114)
-
Metropolis, N., Rosenbluth, A. W., Rosenbluth, M. N., Teller, A. H. & Teller, E. 1953 Equation of state calculations by fast computing machines. J. Chem. Phys. 21, 1087-1092. (doi:10.1063/1.1699114)
-
(1953)
J. Chem. Phys.
, vol.21
, pp. 1087-1092
-
-
Metropolis, N.1
Rosenbluth, A.W.2
Rosenbluth, M.N.3
Teller, A.H.4
Teller, E.5
-
22
-
-
33748578711
-
Study of an F center in molten KCl
-
doi:10.1063/1.446740)
-
Parrinello, M. & Rahman, A. 1984 Study of an F center in molten KCl. J. Chem. Phys. 80, 860-867. (doi:10.1063/1.446740)
-
(1984)
J. Chem. Phys.
, vol.80
, pp. 860-867
-
-
Parrinello, M.1
Rahman, A.2
-
23
-
-
77955577540
-
Good practices in free-energy calculations
-
doi:10.1021/jp102971x)
-
Pohorille, A., Jarzynski, C. & Chipot, C. 2010 Good practices in free-energy calculations. J. Phys. Chem. B 114, 10 235-10 253. (doi:10.1021/jp102971x)
-
(2010)
J. Phys. Chem. B
, vol.114
, pp. 10235-10253
-
-
Pohorille, A.1
Jarzynski, C.2
Chipot, C.3
-
24
-
-
0347949907
-
Heat capacity estimators for random series path-integral methods by finite difference schemes
-
doi:10.1063/1.1625366)
-
Predescu, C., Sabo, D., Doll, J. D. & Freeman, D. L. 2003 Heat capacity estimators for random series path-integral methods by finite difference schemes. J. Chem. Phys. 119, 12 119-12 128. (doi:10.1063/1.1625366)
-
(2003)
J. Chem. Phys.
, vol.119
, pp. 12119-12128
-
-
Predescu, C.1
Sabo, D.2
Doll, J.D.3
Freeman, D.L.4
-
26
-
-
0003053548
-
Bayesian computation via the Gibbs sampler and related Markov chain Monte Carlo methods
-
Smith, A. F. M. & Roberts, G. O. 1993 Bayesian computation via the Gibbs sampler and related Markov chain Monte Carlo methods. J. R. Stat. Soc. B 55, 3-23.
-
(1993)
J. R. Stat. Soc. B
, vol.55
, pp. 3-23
-
-
Smith, A.F.M.1
Roberts, G.O.2
-
27
-
-
4243960934
-
Hybrid exponential product formulas for unbounded operators with possible applications to Monte Carlo simulations
-
doi:10.1016/0375- 9601(95)00266-6)
-
Suzuki, M. 1995 Hybrid exponential product formulas for unbounded operators with possible applications to Monte Carlo simulations. Phys. Lett. A 201, 425-428. (doi:10.1016/0375- 9601(95)00266-6)
-
(1995)
Phys. Lett. A
, vol.201
, pp. 425-428
-
-
Suzuki, M.1
-
28
-
-
2842574881
-
Monte Carlo calculation of quantum systems. II. Higher order correction
-
doi:10.1143/JPSJ.53.3765)
-
Takahashi, M. & Imada, M. 1984 Monte Carlo calculation of quantum systems. II. Higher order correction. J. Phys. Soc. Jpn. 53, 3765-3769. (doi:10.1143/JPSJ.53.3765)
-
(1984)
J. Phys. Soc. Jpn.
, vol.53
, pp. 3765-3769
-
-
Takahashi, M.1
Imada, M.2
-
29
-
-
25144491602
-
Path-integral virial estimator based on the scaling of fluctuation coordinates: Application to quantum clusters with fourth-order propagators
-
doi:10.1063/1.2013257)
-
Yamamoto, T. M. 2005 Path-integral virial estimator based on the scaling of fluctuation coordinates: Application to quantum clusters with fourth-order propagators. J. Chem. Phys. 123, 104101. (doi:10.1063/1.2013257)
-
(2005)
J. Chem. Phys.
, vol.123
, pp. 104101
-
-
Yamamoto, T.M.1
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