Monte Carlo simulation of the liquid–vapor interface of water using an ab initio potential

George C. Lie; Stelian Grigoras; Liem X. Dang; Dah‐Yen Yang; A. Douglas McLean

doi:10.1063/1.466139

Monte Carlo simulation of the liquid–vapor interface of water using an ab initio potential

The Journal of Chemical Physics ◽

10.1063/1.466139 ◽

1993 ◽

Vol 99 (5) ◽

pp. 3933-3937 ◽

Cited By ~ 30

Author(s):

George C. Lie ◽

Stelian Grigoras ◽

Liem X. Dang ◽

Dah‐Yen Yang ◽

A. Douglas McLean

Keyword(s):

Monte Carlo Simulation ◽

Monte Carlo ◽

Ab Initio ◽

Vapor Interface ◽

Liquid Vapor

Download Full-text

Self‐consistent Monte Carlo simulation of the electron and ion distributions in the liquid–vapor interface of magnesium

The Journal of Chemical Physics ◽

10.1063/1.468236 ◽

1994 ◽

Vol 101 (9) ◽

pp. 8094-8097 ◽

Cited By ~ 24

Author(s):

M. A. Gomez ◽

Stuart A. Rice

Keyword(s):

Monte Carlo Simulation ◽

Monte Carlo ◽

Vapor Interface ◽

Ion Distributions ◽

Self Consistent ◽

Liquid Vapor

Download Full-text

A self‐consistent Monte Carlo simulation of the electron and ion distributions in the liquid–vapor interface of a simple metal

The Journal of Chemical Physics ◽

10.1063/1.452762 ◽

1987 ◽

Vol 86 (2) ◽

pp. 1067-1069 ◽

Cited By ~ 11

Author(s):

Jonathan G. Harris ◽

Jan Gryko ◽

Stuart A. Rice

Keyword(s):

Monte Carlo Simulation ◽

Monte Carlo ◽

Simple Metal ◽

Vapor Interface ◽

Ion Distributions ◽

Self Consistent ◽

Liquid Vapor

Download Full-text

Monte Carlo Simulation of Mixed Lennard-Jones Nonionic Surfactant Adsorption at the Liquid/Vapor Interface

Langmuir ◽

10.1021/la701452g ◽

2007 ◽

Vol 23 (23) ◽

pp. 11580-11586 ◽

Cited By ~ 11

Author(s):

A. J. Howes ◽

C. J. Radke

Keyword(s):

Monte Carlo Simulation ◽

Monte Carlo ◽

Nonionic Surfactant ◽

Surfactant Adsorption ◽

Vapor Interface ◽

Lennard Jones ◽

Liquid Vapor

Download Full-text

Structures and Photoelectron Spectroscopies of Si2C2-Studied with ab Initio Multicanonical Monte Carlo Simulation

The Journal of Physical Chemistry A ◽

10.1021/jp991004x ◽

1999 ◽

Vol 103 (32) ◽

pp. 6442-6447

Author(s):

Pradipta Bandyopadhyay ◽

Seiichiro Ten-no ◽

Suehiro Iwata

Keyword(s):

Monte Carlo Simulation ◽

Monte Carlo ◽

Ab Initio

Download Full-text

Magnetic properties and magnetoresistance effect of SnFe2O4 spinel nanoparticles: Experimental, ab initio and Monte Carlo simulation

Ceramics International ◽

10.1016/j.ceramint.2021.08.074 ◽

2021 ◽

Author(s):

O. Mounkachi ◽

L. Fkhar ◽

R. Lamouri ◽

E. Salmani ◽

A. El hat ◽

...

Keyword(s):

Monte Carlo Simulation ◽

Monte Carlo ◽

Magnetic Properties ◽

Ab Initio ◽

Magnetoresistance Effect ◽

Spinel Nanoparticles

Download Full-text

Monte Carlo Simulation of Ab-Initio NanoCommunications From Coulomb-like Electric Forces in Bacteria Populations Chemotaxis

2018 IEEE XXV International Conference on Electronics, Electrical Engineering and Computing (INTERCON) ◽

10.1109/intercon.2018.8526433 ◽

2018 ◽

Cited By ~ 1

Author(s):

Huber Nieto-Chaupis

Keyword(s):

Monte Carlo Simulation ◽

Monte Carlo ◽

Ab Initio

Download Full-text

Electronic, optical and magnetic properties of TM (Cr and Fe) doped Titania TiO2: Ab initio calculations, mean field approximation and Monte Carlo simulation

Optical and Quantum Electronics ◽

10.1007/s11082-017-0932-8 ◽

2017 ◽

Vol 49 (3) ◽

Cited By ~ 1

Author(s):

El Mehdi Salmani ◽

Ayoub Laghrissi ◽

Rachida Lamouri ◽

Mustapha Dehmani ◽

El Mostafa Benchafia ◽

...

Keyword(s):

Monte Carlo Simulation ◽

Monte Carlo ◽

Magnetic Properties ◽

Ab Initio Calculations ◽

Ab Initio ◽

Mean Field ◽

Field Approximation ◽

Mean Field Approximation ◽

Optical And Magnetic Properties ◽

Doped Titania

Download Full-text

Prediction of thermodynamic properties of krypton by Monte Carlo simulation using ab initio interaction potentials

The Journal of Chemical Physics ◽

10.1063/1.1579671 ◽

2003 ◽

Vol 119 (2) ◽

pp. 947-952 ◽

Cited By ~ 37

Author(s):

Afshin Eskandari Nasrabad ◽

Ulrich K. Deiters

Keyword(s):

Monte Carlo Simulation ◽

Monte Carlo ◽

Thermodynamic Properties ◽

Ab Initio ◽

Interaction Potentials

Download Full-text

Investigation of Silicon Model Nanotubes as Potential Candidate Nanomaterials for Efficient Hydrogen Storage: A Combined Ab Initio/Grand Canonical Monte Carlo Simulation Study

The Journal of Physical Chemistry C ◽

10.1021/jp805559a ◽

2008 ◽

Vol 112 (43) ◽

pp. 16725-16728 ◽

Cited By ~ 28

Author(s):

George P. Lithoxoos ◽

Jannis Samios ◽

Yannick Carissan

Keyword(s):

Monte Carlo Simulation ◽

Monte Carlo ◽

Hydrogen Storage ◽

Ab Initio ◽

Simulation Study ◽

Potential Candidate ◽

Grand Canonical Monte Carlo ◽

Monte Carlo Simulation Study ◽

Grand Canonical

Download Full-text

Monte Carlo Simulations of the Liquid−Vapor Interface of Lennard−Jones Diatomics for the Direct Determination of the Interfacial Tension Using the Test-Area Method†

Journal of Chemical & Engineering Data ◽

10.1021/je100450s ◽

2010 ◽

Vol 55 (10) ◽

pp. 4306-4314 ◽

Cited By ~ 9

Author(s):

José G. Sampayo ◽

Felipe J. Blas ◽

Enrique de Miguel ◽

Erich A. Müller ◽

George Jackson

Keyword(s):

Monte Carlo ◽

Interfacial Tension ◽

Monte Carlo Simulations ◽

Direct Determination ◽

Test Area ◽

Vapor Interface ◽

Area Method ◽

Lennard Jones ◽

Liquid Vapor

Download Full-text