Predicting Crystal Structures: The Parrinello-Rahman Method Revisited
Author:
Publisher
American Physical Society (APS)
Subject
General Physics and Astronomy
Link
http://harvest.aps.org/v2/journals/articles/10.1103/PhysRevLett.90.075503/fulltext
Reference18 articles.
1. Molecular dynamics simulations at constant pressure and/or temperature
2. Crystal Structure and Pair Potentials: A Molecular-Dynamics Study
3. Polymorphic transitions in single crystals: A new molecular dynamics method
4. Constant pressure molecular dynamics for molecular systems
5. Molecular dynamics equations of motion for systems varying in shape and size
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