Investigation of structural, electronic, magnetic, elastic and thermodynamic properties of Mn3GaN antiperovskite by first principle and Monte Carlo simulations

The Philosophical Magazine A Journal of Theoretical Experimental and Applied Physics ◽

10.1080/14786435.2021.1917782 ◽

2021 ◽

pp. 1-15

Author(s):

A. Azouaoui ◽

N. Benzakour ◽

A. Hourmatallah ◽

K. Bouslykhane

Keyword(s):

Monte Carlo ◽

Thermodynamic Properties ◽

Monte Carlo Simulations ◽

First Principle

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Thermodynamic properties of lattice polymers: Monte Carlo simulations and mean-field theories

The Journal of Chemical Physics ◽

10.1063/1.481177 ◽

2000 ◽

Vol 112 (13) ◽

pp. 6040-6048 ◽

Cited By ~ 16

Author(s):

Dorel Buta ◽

Karl F. Freed ◽

Igal Szleifer

Keyword(s):

Monte Carlo ◽

Thermodynamic Properties ◽

Monte Carlo Simulations ◽

Mean Field ◽

Field Theories ◽

Lattice Polymers ◽

Mean Field Theories

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Magnetic and thermodynamic properties of nanodisks by Monte Carlo simulations

Journal of Physics Conference Series ◽

10.1088/1742-6596/490/1/012164 ◽

2014 ◽

Vol 490 ◽

pp. 012164 ◽

Cited By ~ 1

Author(s):

Elena Konstantinova ◽

José Antonio de Sales

Keyword(s):

Monte Carlo ◽

Thermodynamic Properties ◽

Monte Carlo Simulations

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Thermodynamic properties of cubic boron-nitride crystal by path integral Monte Carlo simulations

Chemical Physics Letters ◽

10.1016/j.cplett.2020.137513 ◽

2020 ◽

Vol 751 ◽

pp. 137513

Author(s):

B.G.A. Brito ◽

L. Cândido

Keyword(s):

Monte Carlo ◽

Boron Nitride ◽

Thermodynamic Properties ◽

Monte Carlo Simulations ◽

Path Integral ◽

Cubic Boron Nitride ◽

Path Integral Monte Carlo

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Toward a molecular theory of vapor‐phase nucleation. III. Thermodynamic properties of argon clusters from Monte Carlo simulations and a modified liquid drop theory

The Journal of Chemical Physics ◽

10.1063/1.465981 ◽

1993 ◽

Vol 99 (7) ◽

pp. 5374-5383 ◽

Cited By ~ 78

Author(s):

Cheryl Li Weakliem ◽

Howard Reiss

Keyword(s):

Monte Carlo ◽

Thermodynamic Properties ◽

Monte Carlo Simulations ◽

Vapor Phase ◽

Liquid Drop ◽

Molecular Theory ◽

Argon Clusters ◽

Phase Nucleation

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Maximum entropy method of obtaining thermodynamic properties from quantum Monte Carlo simulations

Physical Review B ◽

10.1103/physrevb.61.9300 ◽

2000 ◽

Vol 61 (14) ◽

pp. 9300-9306 ◽

Cited By ~ 13

Author(s):

Carey Huscroft ◽

Richard Gass ◽

Mark Jarrell

Keyword(s):

Monte Carlo ◽

Thermodynamic Properties ◽

Monte Carlo Simulations ◽

Maximum Entropy ◽

Quantum Monte Carlo ◽

Maximum Entropy Method ◽

Entropy Method ◽

Quantum Monte Carlo Simulations

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Self-driven lattice-model Monte Carlo simulations of alloy thermodynamic properties and phase diagrams

Modelling and Simulation in Materials Science and Engineering ◽

10.1088/0965-0393/10/5/304 ◽

2002 ◽

Vol 10 (5) ◽

pp. 521-538 ◽

Cited By ~ 209

Author(s):

A van de Walle ◽

M Asta

Keyword(s):

Monte Carlo ◽

Thermodynamic Properties ◽

Monte Carlo Simulations ◽

Phase Diagrams ◽

Lattice Model ◽

Alloy Thermodynamic

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Thermodynamic properties ofc-Si derived by quantum path-integral Monte Carlo simulations

Physical Review B ◽

10.1103/physrevb.53.9869 ◽

1996 ◽

Vol 53 (15) ◽

pp. 9869-9875 ◽

Cited By ~ 33

Author(s):

José C. Noya ◽

Carlos P. Herrero ◽

Rafael Ramírez

Keyword(s):

Monte Carlo ◽

Thermodynamic Properties ◽

Monte Carlo Simulations ◽

Path Integral ◽

Path Integral Monte Carlo

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Thermodynamic properties of planar square‐well dumbbell fluids: Monte Carlo simulations and perturbation theory

The Journal of Chemical Physics ◽

10.1063/1.465472 ◽

1993 ◽

Vol 99 (12) ◽

pp. 9882-9889 ◽

Cited By ~ 2

Author(s):

A. C. Brańka ◽

D. M. Heyes

Keyword(s):

Monte Carlo ◽

Perturbation Theory ◽

Thermodynamic Properties ◽

Monte Carlo Simulations ◽

Square Well

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Thermodynamic Properties of Model Solids with Short-Ranged Potentials from Monte Carlo Simulations and Perturbation Theory

The Journal of Physical Chemistry B ◽

10.1021/jp072059z ◽

2007 ◽

Vol 111 (34) ◽

pp. 10194-10201 ◽

Cited By ~ 5

Author(s):

A. Díez ◽

J. Largo ◽

J. R. Solana

Keyword(s):

Monte Carlo ◽

Perturbation Theory ◽

Thermodynamic Properties ◽

Monte Carlo Simulations

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Silicon Nanotube as a Promising Candidate for Hydrogen Storage: From the First Principle Calculations to Grand Canonical Monte Carlo Simulations

The Journal of Physical Chemistry C ◽

10.1021/jp711754h ◽

2008 ◽

Vol 112 (14) ◽

pp. 5598-5604 ◽

Cited By ~ 81

Author(s):

Jianhui Lan ◽

Daojian Cheng ◽

Dapeng Cao ◽

Wenchuan Wang

Keyword(s):

Monte Carlo ◽

Hydrogen Storage ◽

Monte Carlo Simulations ◽

First Principle ◽

Grand Canonical Monte Carlo ◽

Promising Candidate ◽

First Principle Calculations ◽

Silicon Nanotube ◽

Grand Canonical

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