The state-of-the-art for Monte Carlo (MC) simulations of biomacromolecules is reviewed.
Available methodologies for sampling conformational equilibria and associations of …

Methods to search for low‐energy conformations, to generate a Boltzmann‐weighted
ensemble of configurations, or to generate classical‐dynamical trajectories for molecular …

We present a unified scheme that, by combining molecular dynamics and density-functional
theory, profoundly extends the range of both concepts. Our approach extends molecular …

The Equilibrium Theory of Inhomogeneous Polymers provides an introduction to the field-
theoretic methods and computer simulation techniques that are used in the design of …

We propose a novel approach that allows efficient numerical simulation of systems
consisting of flexible chain molecules. The method is especially suitable for the numerical …

A new Monte Carlo simulation procedure is developed which is expected to produce more
rapid convergence than the standard Metropolis method. The trial particle moves are chosen …

We investigate the properties of the hybrid Monte Carlo algorithm (HMC) in high dimensions.
HMC develops a Markov chain reversible with respect to a given target distribution Π using …

Applications of the Monte Carlo method in statistical physics Page 1 Applications of the
Monte-Carlo Method in Statistical Physics KURT BINDER XXXVI Springer Page 2 Topics in …

Polyethylene at equilibrium is studied by computer simulation. Configuration space is
sampled efficiently by a novel Monte Carlo simulation scheme developed for the study of …