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Monte Carlo molecular modeling
About: Monte Carlo molecular modeling is a research topic. Over the lifetime, 11307 publications have been published within this topic receiving 409122 citations.
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TL;DR: In this paper, Monte Carlo methods were employed to study SU(2) Yang-Mills theory in the absence of fermions, on a lattice, at finite temperature.
365 citations
365 citations
Book•
01 Mar 1980
TL;DR: In this article, Monte Carlo methods for solving direct and inverse problems of the theory of radiative transfer in a Spherical Atmosphere were presented. And Monte Carlo algorithms for estimating the Correlation Function of Strong Light Fluctuations in a Turbulent Medium.
Abstract: 1 Introduction- 2 Elements of Radiative-Transfer Theory Used in Monte Carlo Methods- 3 General Questions About the Monte Carlo Technique for Solving Integral Equations of Transfer- 4 Monte Carlo Methods for Solving Direct and Inverse Problems of the Theory of Radiative Transfer in a Spherical Atmosphere- 5 Monte Carlo Algorithms for Solving Nonstationary Problems of the Theory of Narrow-Beam Propagation in the Atmosphere and Ocean- 6 Monte Carlo Algorithms for Estimating the Correlation Function of Strong Light Fluctuations in a Turbulent Medium- References
359 citations
357 citations
TL;DR: In this paper, a Monte Carlo method is presented which simulates the transport equations of joint probability density functions (pdf's) in turbulent flows, and the method can be used to solve the pdf equation for turbulent flows involving many chemical species and complex reaction kinetics.
Abstract: —A Monte Carlo method is presented which simulates the transport equations of joint probability density functions (pdf's) in turbulent flows. (Finite-difference solutions of the equations are impracticable, mainly because of the large dimensionality of the pdf's). Attention is focused on an equation for the joint pdf of chemical and thermodynamic properties in turbulent reactive flows. It is shown that the Monte Carlo method provides a true simulation of this equation, and that the amount of computation required increases only linearly with the number of properties considered. Consequently, the method can be used to solve the pdf equation for turbulent flows involving many chemical species and complex reaction kinetics. Test calculations are reported that demonstrate the method and determine the influence of the numerical parameters. The method is then used to calculate pdf's of temperature in a turbulent mixing layer, and the calculations are found to be in good agreement with the measurements o...
347 citations