Modeling Potential Energy Surfaces: From First-Principle Approaches to Empirical Force Fields-Reference-Cited by-同舟云学术

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Modeling Potential Energy Surfaces: From First-Principle Approaches to Empirical Force Fields

Published:2013-12-30 Issue:1 Volume:16 Page:322-349
ISSN:1099-4300
Container-title:Entropy
language:en
Short-container-title:Entropy

Author:

Ballone Pietro

Publisher

MDPI AG

Subject

General Physics and Astronomy

Link

http://www.mdpi.com/1099-4300/16/1/322/pdf

Reference106 articles.

1. Understanding Molecular Simulation;Frenkel,2002

2. First-principle methods: A perspective from quantum Monte Carlo;Morales;Entropy,2014

3. Interatomic Forces in Condensed Matter;Finnis,2010

4. What is a multiscale problem in molecular dynamics?;Delle Site;Entropy,2014

5. Electrons and Phonons;Ziman,1960

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1. Targeted Energy Transfer Dynamics and Chemical Reactions;Entropy;2024-09-02

2. Structure search for molecular clusters. Towards a rational understanding of their size-dependent properties;Inorganica Chimica Acta;2024-09

3. Utilizing Wyckoff Sites to Construct Machine-Learning-Driven Interatomic Potentials for Crystalline Materials: A Case Study on α-Alumina;The Journal of Physical Chemistry C;2024-01-18

4. OntoPESScan: An Ontology for Potential Energy Surface Scans;ACS Omega;2023-01-03

5. Reactive Molecular Dynamics at Constant Pressure via Nonreactive Force Fields: Extending the Empirical Valence Bond Method to the Isothermal-Isobaric Ensemble;The Journal of Physical Chemistry A;2020-08-21

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