Considerations for choosing and using force fields and interatomic potentials in materials science and engineering

Author:

Becker Chandler A.,Tavazza Francesca,Trautt Zachary T.,Buarque de Macedo Robert A.

Publisher

Elsevier BV

Subject

General Materials Science

Reference36 articles.

1. Understanding molecular simulation: from algorithms to applications;Frenkel,2001

2. Comparison of simple potential functions for simulating liquid water

3. Becker CA. Atomistic simulations for engineering: potentials and challenges. In: Arnold SM, Wong TT, editors. Tools, models, databases and simulation tools developed and needed to realize the vision of ICME, ASM International, Materials Park; 2011. p. 91 .

4. Fast Parallel Algorithms for Short-Range Molecular Dynamics

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