Crystal Structure Prediction based on Statistical Potentials

• 31 March 1998
• journal article
• Published by Springer Nature in Journal of Molecular Modeling
• Vol. 4  (3) , 132-144
• https://doi.org/10.1007/s008940050130

Abstract

Keywords

• SIMILARITY OF CRYSTALS
• STATISTICAL POTENTIALS
• CRYSTAL STRUCTURE PREDICTION
• DISCRETE MOLECULAR MODELING
• MOLECULAR MODELING
• MONTE CARLO
• STATISTICAL POTENTIAL
• CRYSTAL STRUCTURE
• SIMULATED ANNEALING
• SCORE FUNCTION