Monte carlo methods in chemical physics
David M. Ferguson, J. Ilja Siepmann, Donald G. Truhlar
Abstract
David M. Ferguson, J. Ilja Siepmann, Donald G. Truhlar
Abstract
An Introduction to the Monte Carlo Method for Particle Simulations (J. Siepmann). Random Number Generators for Parallel Applications (A. Srinivasan, et al.). Between Classical and Quantum Monte Carlo Methods: Variational QMC (D. Bressanini & P. Reynolds). Monte Carlo Eigenvalue Methods in Quantum Mechanics and Statistical Methods (M. Nightingale & C. Umrigar). Adaptive Path--Integral Monte Carlo Methods for Accurate Computation of Molecular Thermodynamic Properties (R. Topper). Monte Carlo Sampling for Classical Trajectory Simulations (G. Peslherbe, et al.). Monte Carlo Approaches to the Protein Folding Problem (J. Skolnick & A. Kolinski). Entropy Sampling Monte Carlo for Polypeptides and Proteins (H. Scheraga & M. Hao). Macrostate Dissection of Thermodynamic Monte Carlo Integrals (B. Church, et al.). Simulated Annealing--Optimal Histogram Methods (D. Ferguson & D. Garrett). Monte Carlo Methods for Polymeric Systems (J. de Pablo & F. Escobedo). Thermodynamic--Scaling Methods in Monte Carlo and Their Application to Phase Equilibria (J. Valleau). Semigrand Canonical Monte Carlo Simulation: Integration Along Coexistence Lines (D. Kofke). Monte Carlo Methods for Simulating Phase Equilibria of Complex Fluids (J. Siepmann). Reactive Canonical Monte Carlo (J. Johnson). New Monte Carlo Algorithms for Classical Spin Systems (G. Barkema & M. Newman). Indexes.
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An Introduction to the Monte Carlo Method for Particle Simulations (J. Siepmann). Random Number Generators for Parallel Applications (A. Srinivasan, et al.). Between Classical and Quantum Monte Carlo Methods: Variational QMC (D. Bressanini & P. Reynolds). Monte Carlo Eigenvalue Methods in Quantum Mechanics and Statistical Methods (M. Nightingale & C. Umrigar). Adaptive Path--Integral Monte Carlo Methods for Accurate Computation of Molecular Thermodynamic Properties (R. Topper). Monte Carlo Sampling for Classical Trajectory Simulations (G. Peslherbe, et al.). Monte Carlo Approaches to the Protein Folding Problem (J. Skolnick & A. Kolinski). Entropy Sampling Monte Carlo for Polypeptides and Proteins (H. Scheraga & M. Hao). Macrostate Dissection of Thermodynamic Monte Carlo Integrals (B. Church, et al.). Simulated Annealing--Optimal Histogram Methods (D. Ferguson & D. Garrett). Monte Carlo Methods for Polymeric Systems (J. de Pablo & F. Escobedo). Thermodynamic--Scaling Methods in Monte Carlo and Their Application to Phase Equilibria (J. Valleau). Semigrand Canonical Monte Carlo Simulation: Integration Along Coexistence Lines (D. Kofke). Monte Carlo Methods for Simulating Phase Equilibria of Complex Fluids (J. Siepmann). Reactive Canonical Monte Carlo (J. Johnson). New Monte Carlo Algorithms for Classical Spin Systems (G. Barkema & M. Newman). Indexes.
Key concepts: Monte Carlo method, Monte Carlo molecular modeling, Dynamic Monte Carlo method, Monte Carlo method in statistical physics, Hybrid Monte Carlo, Quantum Monte Carlo, Statistical physics, Monte Carlo integration