Molecular Dynamics Simulation of Silica with a First-principles Interatomic Potential

Topics in Molecular Organization and Engineering - Modelling of Minerals and Silicated Materials ◽

10.1007/0-306-46933-2_8 ◽

1997 ◽

pp. 201-226

Author(s):

Shinji Tsuneyuki

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

First Principles ◽

Interatomic Potential ◽

Dynamics Simulation

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Molecular Dynamics Simulation of Silica with a First-Principles Interatomic Potential

Dynamic Processes of Material Transport and Transformation in the Earth’s Interior ◽

10.1007/978-94-011-3314-2_1 ◽

1990 ◽

pp. 1-21 ◽

Author(s):

Shinji Tsuneyuki ◽

Masaru Tsukada ◽

Hideo Aoki ◽

Yoshito Matsui

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

First Principles ◽

Interatomic Potential ◽

Dynamics Simulation

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Molecular dynamics simulation of silica with a first-principles interatomic potential

Molecular Engineering ◽

10.1007/bf00161726 ◽

1996 ◽

Vol 6 (1-2) ◽

Author(s):

Shinji Tsuneyuki

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

First Principles ◽

Interatomic Potential ◽

Dynamics Simulation

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Crystallization of the P3Sn4 Phase upon Cooling P2Sn5 Liquid by Molecular Dynamics Simulation Using a Machine Learning Interatomic Potential

The Journal of Physical Chemistry C ◽

10.1021/acs.jpcc.0c08873 ◽

2021 ◽

Vol 125 (5) ◽

pp. 3127-3133

Author(s):

Chao Zhang ◽

Yang Sun ◽

Hai-Di Wang ◽

Feng Zhang ◽

Tong-Qi Wen ◽

...

Keyword(s):

Machine Learning ◽

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Interatomic Potential ◽

Dynamics Simulation

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Molecular Dynamics Simulation of the Physics of Thin Film Growth on Silicon: Effects of the Properties of Interatomic Potential Models

Atomistic Simulation of Materials ◽

10.1007/978-1-4684-5703-2_14 ◽

1989 ◽

pp. 139-145

Author(s):

W. Lowell Morgan

Keyword(s):

Thin Film ◽

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Film Growth ◽

Interatomic Potential ◽

Thin Film Growth ◽

Dynamics Simulation ◽

Potential Models

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The Interactions between High Temperature Water and Fe3O4(111) by First-Principles Molecular Dynamics Simulation

International Journal of Electrochemical Science ◽

10.20964/2018.03.71 ◽

2018 ◽

pp. 2430-2440 ◽

Author(s):

Haitao Wang ◽

Keyword(s):

Molecular Dynamics ◽

High Temperature ◽

Molecular Dynamics Simulation ◽

First Principles ◽

Dynamics Simulation ◽

High Temperature Water ◽

Temperature Water ◽

First Principles Molecular Dynamics

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Formation of Gold Nanowires with Impurities: A First-Principles Molecular Dynamics Simulation

Physical Review Letters ◽

10.1103/physrevlett.98.096102 ◽

2007 ◽

Vol 98 (9) ◽

Author(s):

Eduardo Anglada ◽

José A. Torres ◽

Félix Yndurain ◽

José M. Soler

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

First Principles ◽

Dynamics Simulation ◽

Gold Nanowires ◽

First Principles Molecular Dynamics

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Interatomic potential for Pd and molecular-dynamics simulation of diffusion in Pd/Pd(111) system

Thin Solid Films ◽

10.1016/s0040-6090(02)01259-2 ◽

2003 ◽

Vol 428 (1-2) ◽

pp. 40-46 ◽

Author(s):

N.I Papanicolaou ◽

D.A Papaconstantopoulos

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Interatomic Potential ◽

Dynamics Simulation

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Insight into the Solvation Structure of Tetraglyme-Based Electrolytes via First-Principles Molecular Dynamics Simulation

The Journal of Physical Chemistry B ◽

10.1021/acs.jpcb.8b07098 ◽

2018 ◽

Vol 122 (43) ◽

pp. 10014-10022 ◽

Author(s):

Yang Sun ◽

Ikutaro Hamada

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

First Principles ◽

Dynamics Simulation ◽

Solvation Structure ◽

Insight Into ◽

First Principles Molecular Dynamics

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Thermal decomposition behaviour of RDX by first-principles molecular dynamics simulation

Molecular Simulation ◽

10.1080/08927020802162892 ◽

2008 ◽

Vol 34 (10-15) ◽

pp. 961-965 ◽

Author(s):

Jingcheng Xu ◽

Jijun Zhao ◽

Lizhong Sun

Keyword(s):

Molecular Dynamics ◽

Thermal Decomposition ◽

Molecular Dynamics Simulation ◽

First Principles ◽

Dynamics Simulation ◽

Thermal Decomposition Behaviour ◽

Decomposition Behaviour ◽

First Principles Molecular Dynamics

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Molecular dynamics simulation of metallic Al-Ce liquids using a neural network machine learning interatomic potential

The Journal of Chemical Physics ◽

10.1063/5.0066061 ◽

2021 ◽

Author(s):

Ling Tang ◽

K. M. Ho ◽

Cai-Zhuang Wang

Keyword(s):

Neural Network ◽

Machine Learning ◽

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Interatomic Potential ◽

Dynamics Simulation

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