Lo Presti Group

Experimental and computational research on crystal chemistry

Curriculum vitae of Prof. Leonardo Lo Presti

NEWS

RELEASED SYMMETRY-CONSTRAINED MONTE CARLO FOR CRYSTAL STRUCTURE PREDICTION

SC-MC is a crystal structure predictor tool that relies on modified Monte Carlo routines of MiCMoS  to quickly explore vast polymorphs energy landscapes. Interested users may download the full package from the download area of this site upon registration, under the same use conditions of MiCMoS (free of charge for academic and no-profit users). 

VERSION 2.4 OF MiCMoS RELEASED

Improved version of pre-processing program retcif for easier importing structures

Added Ewald algorithm for long-range electrostatics

Post-processing programs added to simulate X-ray scattering output from crystals and liquids and averaging structures

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