Efficient Monte Carlo Sampling by direct flattening of free energy barriers
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[1] N. Metropolis,et al. Equation of State Calculations by Fast Computing Machines , 1953, Resonance.
[2] Lattice Models of Hard‐Core Molecules with Attractions: The Phase Diagram , 1968 .
[3] L. Murr. Interfacial phenomena in metals and alloys , 1975 .
[4] G. Torrie,et al. Nonphysical sampling distributions in Monte Carlo free-energy estimation: Umbrella sampling , 1977 .
[5] K. Binder. Monte Carlo methods in statistical physics , 1979 .
[6] J. Cahn,et al. Grain-Boundary Melting Transition in a Two-Dimensional Lattice-Gas Model, , 1980 .
[7] D. Pink,et al. Raman scattering in bilayers of saturated phosphatidylcholines and cholesterol. Experiment and theory. , 1981, Biochemistry.
[8] C. D. Gelatt,et al. Optimization by Simulated Annealing , 1983, Science.
[9] Ole G. Mouritsen,et al. Computer Studies of Phase Transitions and Critical Phenomena , 1984 .
[10] Binder,et al. Finite-size effects at temperature-driven first-order transitions. , 1986, Physical review. B, Condensed matter.
[11] Kurt Binder,et al. Theory of first-order phase transitions , 1987 .
[12] Alan M. Ferrenberg,et al. New Monte Carlo technique for studying phase transitions. , 1988, Physical review letters.
[13] J. Banavar,et al. Computer Simulation of Liquids , 1988 .
[14] M. Plischke,et al. Equilibrium statistical physics , 1988 .
[15] Alan M. Ferrenberg,et al. Optimized Monte Carlo data analysis. , 1989, Physical Review Letters.
[16] R. Biltonen. A statistical-thermodynamic view of cooperative structural changes in phospholipid bilayer membranes: their potential role in biological function , 1990 .
[17] Lee,et al. New numerical method to study phase transitions. , 1990, Physical review letters.
[18] Anthony N. Burkitt,et al. Computer-Simulation Methods , 1990 .
[19] C. Borgs,et al. A rigorous theory of finite-size scaling at first-order phase transitions , 1990 .
[20] O. Mouritsen. Theoretical models of phospholipid phase transitions. , 1991, Chemistry and physics of lipids.
[21] C. Borgs,et al. Finite-size scaling for Potts models , 1991 .
[22] B. Berg,et al. Multicanonical algorithms for first order phase transitions , 1991 .
[23] Berg,et al. Multicanonical ensemble: A new approach to simulate first-order phase transitions. , 1992, Physical review letters.
[24] Christian Borgs,et al. Equal weight versus equal height: a numerical study of an asymmetric first-order transition , 1992 .
[25] Multicanonical cluster algorithm and the two-dimensional 7-state Potts model , 1992, hep-lat/9209024.
[26] Guo,et al. Phase behavior of pure lipid bilayers with mismatch interactions. , 1992, Physical review. A, Atomic, molecular, and optical physics.
[27] Wolfhard Janke,et al. MULTICANONICAL SIMULATION OF THE TWO-DIMENSIONAL 7-STATE POTTS MODEL , 1992 .
[28] Multicanonical cluster algorithm , 1992, hep-lat/9211049.
[29] T. Celik,et al. MULTICANONICAL SPIN GLASS SIMULATIONS , 1992 .
[30] Wolfhard Janke,et al. Monte Carlo calculation of the surface free energy for the two-dimensional 7-state Potts model, and an estimate for four-dimensional SU(3) gauge theory , 1992, hep-lat/9202001.
[31] K. Binder,et al. The Monte Carlo Method in Condensed Matter Physics , 1992 .
[32] Ulrich H. E. Hansmann,et al. Multicanonical Study of the 3D Ising Spin Glass , 1992 .
[33] T. Trappenberg,et al. A multicanonical algorithm for SU(3) pure gauge theory , 1992 .
[34] Berg,et al. New approach to spin-glass simulations. , 1992, Physical review letters.
[35] The Surface Tension And A Multicanonical Algorithm For Su(3) Pure Gauge Theory , 1992 .
[36] Christian Borgs,et al. An explicit formula for the interface tension of the 2D Potts model , 1992 .
[37] A. Lyubartsev,et al. New approach to Monte Carlo calculation of the free energy: Method of expanded ensembles , 1992 .
[38] G. Parisi,et al. Simulated tempering: a new Monte Carlo scheme , 1992, hep-lat/9205018.
[39] The confined-deconfined interface tension in quenched QCD using the histogram method , 1993, hep-lat/9301020.
[40] Application of finite-size scaling to the Pink model for lipid bilayers. , 1993, Physical review. E, Statistical physics, plasmas, fluids, and related interdisciplinary topics.
[41] Multicanonical simulations of 2D and 3D ising spin glasses , 1993 .
[42] U. Hansmann. Multimagnetical simulation of the Ising model , 1993 .
[43] M. Sperotto,et al. Phase equilibria and local structure in binary lipid bilayers. , 1993, Biochimica et biophysica acta.
[44] Hansmann,et al. Simulation of an ensemble with varying magnetic field: A numerical determination of the order-order interface tension in the D=2 Ising model. , 1993, Physical review. B, Condensed matter.
[45] Yuko Okamoto,et al. Prediction of peptide conformation by multicanonical algorithm: New approach to the multiple‐minima problem , 1993, J. Comput. Chem..
[46] S. Wallon,et al. The correlation length of the Potts model at the first-order transition point , 1993 .
[47] Michael P. Allen,et al. Computer simulation in chemical physics , 1993 .
[48] L. Fionova,et al. Grain boundaries in metals and semiconductors , 1993 .
[49] Lee,et al. New Monte Carlo algorithm: Entropic sampling. , 1993, Physical review letters.
[50] Yuko Okamoto,et al. Comparative Study of Multicanonical and Simulated Annealing Algorithms in the Protein Folding Problem , 1994 .
[51] Mouritsen,et al. Grain-boundary melting: A Monte Carlo study. , 1994, Physical review. B, Condensed matter.
[52] Wolfhard Janke,et al. Application of the multicanonical multigrid Monte Carlo method to the two-dimensional φ4: Autocorrelations and interface tension: Autocorrelations and interface tension , 1994 .
[53] Yuko Okamoto,et al. Comment on "Monte Carlo Simulation of a First-Order Transition" , 1994 .
[54] Choi,et al. Optimization by multicanonical annealing and the traveling salesman problem. , 1994, Physical review. E, Statistical physics, plasmas, fluids, and related interdisciplinary topics.
[55] W. Janke,et al. Multicanonical multigrid Monte Carlo method and effective autocorrelation time , 1994 .
[56] K. Jørgensen,et al. Dynamical order and disorder in lipid bilayers. , 1994, Chemistry and physics of lipids.
[57] A Determination of interface free energies , 1993, hep-lat/9307017.
[58] Sampling Ground-State Configurations of a Peptide by Multicanonical Annealing , 1994 .
[59] Sauer,et al. Multicanonical multigrid Monte Carlo method. , 1994, Physical review. E, Statistical physics, plasmas, fluids, and related interdisciplinary topics.
[60] Tiziano Rovelli. THE EMU MESSAGES DISPLAY FOR THE DELPHI EXPERIMENT AT LEP , 1994 .
[61] Harold A. Scheraga,et al. MONTE CARLO SIMULATION OF A FIRST-ORDER TRANSITION FOR PROTEIN FOLDING , 1994 .
[62] Multicanonical study of the 3d ising spin glass at zero temperature , 1994 .
[63] M. Plischke,et al. Equilibrium Statistical Physics: Solutions Manual , 1994 .
[64] Y. Okamoto,et al. Thermodynamics of Helix-Coil Transitions Studied by Multicanonical Algorithms , 1995, chem-ph/9505006.
[65] Multicanonical Approach in Statistical Mechanics of Peptides , 1995 .
[66] Liquid–vapor asymmetry in pure fluids: A Monte Carlo simulation study , 1994, cond-mat/9410077.
[67] Hesselbo,et al. Monte Carlo simulation and global optimization without parameters. , 1995, Physical review letters.
[68] Janke,et al. Multibondic cluster algorithm for Monte Carlo simulations of first-order phase transitions. , 1995, Physical review letters.
[69] Wilding. Critical-point and coexistence-curve properties of the Lennard-Jones fluid: A finite-size scaling study. , 1995, Physical review. E, Statistical physics, plasmas, fluids, and related interdisciplinary topics.
[70] Effective scalar field theory for the electroweak phase transition , 1994, hep-lat/9406012.
[71] Z. Fodor,et al. Interface tension of the electroweak phase transition , 1995 .
[72] J. Risbo,et al. Theory of phase equilibria and critical mixing points in binary lipid bilayers , 1995 .
[73] Thermodynamics of helix-coil transitions in amino-acid homopolymers studied by multicanonical algorithms , 1996 .
[74] B. Berg. Multicanonical recursions , 1995, hep-lat/9503019.
[75] Y. Okamoto,et al. Molecular dynamics, Langevin, and hybrid Monte Carlo simulations in multicanonical ensemble , 1996, physics/9710018.
[76] Naohito Urakami,et al. Multicanonical Monte Carlo Simulation of a Polymer with Stickers , 1996 .
[77] Smith,et al. Multicanonical Monte Carlo study of solid-solid phase coexistence in a model colloid. , 1996, Physical review. E, Statistical physics, plasmas, fluids, and related interdisciplinary topics.
[78] K. Binder,et al. Monte Carlo and molecular dynamics of condensed matter systems : euroconference on computer simulation in condensed matter physics and chemistry, Como, 3-28 July 1995 , 1996 .
[79] Random-lattice models and simulation algorithms for the phase equilibria in two-dimensional condensed systems of particles with coupled internal and translational degrees of freedom. , 1996, Physical review. E, Statistical physics, plasmas, fluids, and related interdisciplinary topics.
[80] A. Bruce,et al. Multicanonical Monte Carlo study of a structural phase transition , 1996 .
[81] Hansmann,et al. Monte Carlo simulations in generalized ensemble: Multicanonical algorithm versus simulated tempering. , 1996, Physical review. E, Statistical physics, plasmas, fluids, and related interdisciplinary topics.
[82] A. Kidera,et al. Multicanonical Ensemble Generated by Molecular Dynamics Simulation for Enhanced Conformational Sampling of Peptides , 1997 .
[83] U. Hansmann. EFFECTIVE WAY FOR DETERMINATION OF MULTICANONICAL WEIGHTS , 1997 .
[84] Bernd A. Berg. Algorithmic aspects of multicanonical simulations , 1997 .
[85] Haruki Nakamura,et al. Two‐component multicanonical Monte Carlo method for effective conformation sampling , 1997 .
[86] Haruki Nakamura,et al. Flexible docking of a ligand peptide to a receptor protein by multicanonical molecular dynamics simulation , 1997 .
[87] N. Nakajima,et al. A selectively enhanced multicanonical molecular dynamics method for conformational sampling of peptides in realistic water molecules , 1998 .
[88] A. Kidera,et al. Conformational sampling of CDR-H3 in antibodies by multicanonical molecular dynamics simulation. , 1998, Journal of molecular biology.
[89] Wolfhard Janke,et al. Multicanonical Monte Carlo simulations , 1998 .
[90] James P. Sethna,et al. Multicanonical methods, molecular dynamics, and Monte Carlo methods: Comparison for Lennard-Jones glasses , 1998 .
[91] Yuko Okamoto,et al. Tertiary Structure Prediction of C-Peptide of Ribonuclease A by Multicanonical Algorithm , 1998, physics/9806017.
[92] Y. Okamoto,et al. Finite-size scaling of helix–coil transitions in poly-alanine studied by multicanonical simulations , 1998 .
[93] Th. Lippert,et al. Multicanonical hybrid Monte Carlo algorithm: Boosting simulations of compact QED , 1998, hep-lat/9809160.
[94] Berend Smit,et al. Understanding Molecular Simulation , 2001 .