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

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

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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

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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

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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

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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

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Ab initio and kinetic Monte Carlo simulation study of lithiation in crystalline and amorphous silicon

Journal of Power Sources ◽

10.1016/j.jpowsour.2014.09.004 ◽

2014 ◽

Vol 272 ◽

pp. 1010-1017 ◽

Cited By ~ 22

Author(s):

Janghyuk Moon ◽

Byeongchan Lee ◽

Maenghyo Cho ◽

Kyeongjae Cho

Keyword(s):

Monte Carlo Simulation ◽

Monte Carlo ◽

Ab Initio ◽

Amorphous Silicon ◽

Simulation Study ◽

Kinetic Monte Carlo ◽

Monte Carlo Simulation Study ◽

Kinetic Monte Carlo Simulation

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Application of the Hydrated Ion Concept for Modeling Aqueous Solutions Containing Highly Charged Ions: A Monte Carlo Simulation of Cr3+in Water Using an ab Initio Intermolecular Potential†

The Journal of Physical Chemistry ◽

10.1021/jp952839k ◽

1996 ◽

Vol 100 (28) ◽

pp. 11748-11754 ◽

Cited By ~ 34

Author(s):

Rafael R. Pappalardo ◽

José M. Martínez ◽

Enrique Sánchez Marcos

Keyword(s):

Monte Carlo Simulation ◽

Monte Carlo ◽

Aqueous Solutions ◽

Ab Initio ◽

Highly Charged Ions ◽

Intermolecular Potential ◽

Charged Ions ◽

Hydrated Ion

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Efficient sampling for ab initio Monte Carlo simulation of molecular clusters using an interpolated potential energy surface

The Journal of Chemical Physics ◽

10.1063/1.3055910 ◽

2009 ◽

Vol 130 (2) ◽

pp. 024107 ◽

Cited By ~ 14

Author(s):

Akira Nakayama ◽

Nanami Seki ◽

Tetsuya Taketsugu

Keyword(s):

Monte Carlo Simulation ◽

Monte Carlo ◽

Potential Energy ◽

Potential Energy Surface ◽

Ab Initio ◽

Energy Surface ◽

Molecular Clusters ◽

Efficient Sampling

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Studies of ab initio and Monte Carlo simulation on interaction of fluorouracil anticancer drug with carbon nanotube

Journal of Nanostructure in Chemistry ◽

10.1186/2193-8865-3-71 ◽

2013 ◽

Vol 3 (1) ◽

Cited By ~ 16

Author(s):

Karim Zare ◽

Fahimeh Najafi ◽

Hamidreza Sadegh ◽

Ramin Shahryari ghoshekandi

Keyword(s):

Monte Carlo Simulation ◽

Monte Carlo ◽

Carbon Nanotube ◽

Ab Initio ◽

Anticancer Drug

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A theoretical ab initio and Monte Carlo simulation study of the pyridine+CCl2 reaction kinetics in the gas phase and in carbon tetrachloride solution using canonical flexible transition state theory

Physical Chemistry Chemical Physics ◽

10.1039/a808723g ◽

1999 ◽

Vol 1 (6) ◽

pp. 1031-1036 ◽

Cited By ~ 2

Author(s):

Josefredo R. Pliego, Jr. ◽

Wagner B. De Almeida

Keyword(s):

Monte Carlo Simulation ◽

Monte Carlo ◽

Carbon Tetrachloride ◽

Transition State ◽

Ab Initio ◽

Gas Phase ◽

Simulation Study ◽

Transition State Theory ◽

State Theory ◽

Monte Carlo Simulation Study

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