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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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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Recent Progress and Current Issues in Development of Artificial Neural Network Interatomic Potential for Molecular Dynamics Simulation

The Brain & Neural Networks ◽

10.3902/jnns.26.145 ◽

2019 ◽

Vol 26 (4) ◽

pp. 145-155

Author(s):

Kohei Shimamura ◽

Fuyuki Shimojo ◽

Shigenori Tanaka

Keyword(s):

Neural Network ◽

Molecular Dynamics ◽

Artificial Neural Network ◽

Molecular Dynamics Simulation ◽

Recent Progress ◽

Interatomic Potential ◽

Dynamics Simulation ◽

Artificial Neural

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Molecular dynamics simulation and machine learning of mechanical response in non-equiatomic FeCrNiCoMn high entropy alloy

Journal of Materials Research and Technology ◽

10.1016/j.jmrt.2021.06.021 ◽

2021 ◽

Author(s):

Liang Zhang ◽

Kun Qian ◽

Jun Huang ◽

Mao Liu ◽

Yasushi Shibuta

Keyword(s):

Machine Learning ◽

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Mechanical Response ◽

Dynamics Simulation ◽

High Entropy Alloy ◽

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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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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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Machine Learning Interatomic Potentials for Global Optimization and Molecular Dynamics Simulation

Materials Informatics ◽

10.1002/9783527802265.ch9 ◽

2019 ◽

pp. 253-288 ◽

Author(s):

Ivan A. Kruglov ◽

Pavel E. Dolgirev ◽

Artem R. Oganov ◽

Arslan B. Mazitov ◽

Sergey N. Pozdnyakov ◽

...

Keyword(s):

Machine Learning ◽

Molecular Dynamics ◽

Global Optimization ◽

Molecular Dynamics Simulation ◽

Dynamics Simulation ◽

Interatomic Potentials

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Machine learning approach to automated analysis of atomic configuration of molecular dynamics simulation

Computational Materials Science ◽

10.1016/j.commatsci.2020.109880 ◽

2020 ◽

Vol 184 ◽

pp. 109880 ◽

Author(s):

Teppei Fukuya ◽

Yasushi Shibuta

Keyword(s):

Machine Learning ◽

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Automated Analysis ◽

Dynamics Simulation ◽

Learning Approach ◽

Atomic Configuration ◽

Machine Learning Approach

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Molecular Dynamics Simulation of Zinc Ion in Water with an ab Initio Based Neural Network Potential

The Journal of Physical Chemistry A ◽

10.1021/acs.jpca.9b04087 ◽

2019 ◽

Vol 123 (30) ◽

pp. 6587-6595 ◽

Author(s):

Mingyuan Xu ◽

Tong Zhu ◽

John Z. H. Zhang

Keyword(s):

Neural Network ◽

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Ab Initio ◽

Zinc Ion ◽

Dynamics Simulation

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Molecular dynamics simulation of vanadium using an interatomic potential fitted to finite temperature properties

Journal of Nuclear Materials ◽

10.1016/s0022-3115(02)01019-x ◽

2002 ◽

Vol 307-311 ◽

pp. 1007-1010 ◽

Author(s):

Manabu Satou ◽

Sidney Yip ◽

Katsunori Abe

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Finite Temperature ◽

Interatomic Potential ◽

Dynamics Simulation

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Interatomic potential, phonon spectrum and molecular-dynamics simulation up to 1300K and 10 GPa in YBa2Cu3O7\t-\gd for δ=0 to 1for δ=0 to 1

Bulletin of Materials Science ◽

10.1007/bf02747459 ◽

1991 ◽

Vol 14 (4) ◽

pp. 963-966

Author(s):

S L Chaplot

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Phonon Spectrum ◽

Interatomic Potential ◽

Dynamics Simulation

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