Application of a new reverse Monte Carlo algorithm to polyatomic molecular systems. I. Liquid water

The Journal of Chemical Physics ◽

10.1063/1.1321766 ◽

2001 ◽

Vol 114 (2) ◽

pp. 907 ◽

Author(s):

Fernando Luı́s B. da Silva ◽

Wilmer Olivares-Rivas ◽

Léo Degrève ◽

Torbjörn Åkesson

Keyword(s):

Monte Carlo ◽

Liquid Water ◽

Monte Carlo Algorithm ◽

Reverse Monte Carlo ◽

Molecular Systems

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The structure of disordered carbon solids studied using a hybrid reverse Monte Carlo algorithm

Journal of Physics Condensed Matter ◽

10.1088/0953-8984/17/17/008 ◽

2005 ◽

Vol 17 (17) ◽

pp. 2605-2616 ◽

Author(s):

G Opletal ◽

T C Petersen ◽

D G McCulloch ◽

I K Snook ◽

I Yarovsky

Keyword(s):

Monte Carlo ◽

Monte Carlo Algorithm ◽

Reverse Monte Carlo ◽

Disordered Carbon

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Modeling glasses using the reverse Monte Carlo algorithm: addition of nuclear magnetic resonance and expanded coordination number constraints

Journal of Molecular Graphics and Modelling ◽

10.1016/s1093-3263(99)00035-2 ◽

1999 ◽

Vol 17 (5-6) ◽

pp. 275-284 ◽

Author(s):

J.C McLaughlin ◽

J.W Zwanziger

Keyword(s):

Nuclear Magnetic Resonance ◽

Monte Carlo ◽

Magnetic Resonance ◽

Coordination Number ◽

Monte Carlo Algorithm ◽

Reverse Monte Carlo ◽

Nuclear Magnetic

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Reverse Monte Carlo simulation of liquid water

Chemical Physics Letters ◽

10.1016/0009-2614(94)87036-5 ◽

1994 ◽

Vol 221 (1-2) ◽

pp. 183-187 ◽

Author(s):

P. Jedlovszky ◽

I. Bakó ◽

G. Pálinkás

Keyword(s):

Monte Carlo Simulation ◽

Monte Carlo ◽

Liquid Water ◽

Reverse Monte Carlo ◽

Reverse Monte Carlo Simulation

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Orientational pair correlation function of liquid water from a reverse Monte Carlo study

Chemical Physics Letters ◽

10.1016/0009-2614(95)01283-4 ◽

1996 ◽

Vol 248 (1-2) ◽

pp. 89-94 ◽

Author(s):

Hong Xu ◽

M. Kotbi

Keyword(s):

Monte Carlo ◽

Correlation Function ◽

Liquid Water ◽

Pair Correlation Function ◽

Pair Correlation ◽

Monte Carlo Study ◽

Reverse Monte Carlo

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Comparison of reverse Monte Carlo algorithm variants via the accuracy of their three-particle correlation functions and configurational temperatures

Molecular Physics ◽

10.1080/002689799163730 ◽

1999 ◽

Vol 97 (3) ◽

pp. 339-346 ◽

Author(s):

GERGELY TOTH, ANDRAS BARANYAI

Keyword(s):

Monte Carlo ◽

Correlation Functions ◽

Monte Carlo Algorithm ◽

Reverse Monte Carlo ◽

Particle Correlation

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Structural analysis of carbonaceous solids using an adapted reverse Monte Carlo algorithm

Carbon ◽

10.1016/s0008-6223(03)00296-3 ◽

2003 ◽

Vol 41 (12) ◽

pp. 2403-2411 ◽

Author(s):

Tim Petersen ◽

Irene Yarovsky ◽

Ian Snook ◽

Dougal G McCulloch ◽

George Opletal

Keyword(s):

Monte Carlo ◽

Structural Analysis ◽

Monte Carlo Algorithm ◽

Reverse Monte Carlo

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Reverse Monte Carlo Algorithm and Maximum Entropy Principle for the Analysis of Positive Muon Spin Rotation and Relaxation Spectra

Proceedings of the 14th International Conference on Muon Spin Rotation, Relaxation and Resonance (μSR2017) ◽

10.7566/jpscp.21.011053 ◽

2018 ◽

Author(s):

A. Maisuradze ◽

A. Yaouanc ◽

P. Dalmas de Réotier

Keyword(s):

Monte Carlo ◽

Maximum Entropy ◽

Muon Spin ◽

Maximum Entropy Principle ◽

Spin Rotation ◽

Positive Muon ◽

Monte Carlo Algorithm ◽

Muon Spin Rotation ◽

Reverse Monte Carlo ◽

Entropy Principle

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Reverse Monte Carlo modeling of liquid water with the explicit use of the SPC/E interatomic potential

The Journal of Chemical Physics ◽

10.1063/1.4975987 ◽

2017 ◽

Vol 146 (6) ◽

pp. 064506 ◽

Author(s):

Ildikó Pethes ◽

László Pusztai

Keyword(s):

Monte Carlo ◽

Liquid Water ◽

Interatomic Potential ◽

Reverse Monte Carlo ◽

Monte Carlo Modeling

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Reverse Monte Carlo investigations concerning recent isotopic substitution neutron diffraction data on liquid water

Journal of Molecular Liquids ◽

10.1016/j.molliq.2015.08.050 ◽

2015 ◽

Vol 212 ◽

pp. 111-116 ◽

Author(s):

Ildikó Pethes ◽

László Pusztai

Keyword(s):

Monte Carlo ◽

Neutron Diffraction ◽

Liquid Water ◽

Diffraction Data ◽

Isotopic Substitution ◽

Reverse Monte Carlo ◽

Neutron Diffraction Data

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A Simple Reverse Monte Carlo Algorithm for Structure Simulation of Multi-Component Amorphous Solids

Modern Physics Letters B ◽

10.1142/s0217984997001262 ◽

1997 ◽

Vol 11 (24) ◽

pp. 1047-1055 ◽

Author(s):

M. Andrecut

Keyword(s):

Monte Carlo ◽

Monte Carlo Method ◽

Amorphous Solids ◽

Monte Carlo Algorithm ◽

Reverse Monte Carlo ◽

Structure Simulation ◽

Reverse Monte Carlo Method

A simple Reverse Monte Carlo algorithm for structure simulations of multi-component amorphous solids is presented. The described algorithm is based on the standard reverse Monte Carlo method,1,2 developed for the monoatomic case, the application for poliatomic case being assured by using the Warren–Krutter–Morningstar approximation.3 An application for metal-metalloid glasses is also presented.

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