Tailor-Made Force Fields for Crystal-Structure Prediction
Author:
Affiliation:
1. Avant-garde Materials Simulation, 30b rue du vieil Abreuvoir, 78100 St-Germain-en-Laye, France
Publisher
American Chemical Society (ACS)
Subject
Materials Chemistry,Surfaces, Coatings and Films,Physical and Theoretical Chemistry
Link
https://pubs.acs.org/doi/pdf/10.1021/jp710575h
Reference31 articles.
1. A test of crystal structure prediction of small organic molecules
2. Crystal structure prediction of small organic molecules: a second blind test
3. A third blind test of crystal structure prediction
4. Energy Ranking of Molecular Crystals Using Density Functional Theory Calculations and an Empirical van der Waals Correction
5. Ab initiomolecular dynamics for liquid metals
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