Results 271 to 280 of about 106,304 (285)

A third blind test of crystal structure prediction

Acta Crystallographica Section B: Structural Science, 2005
W D S Motherwell, Herman L Ammon, S X M Boerrigter   +2 more
exaly  

XtalOpt: An open-source evolutionary algorithm for crystal structure prediction

Computer Physics Communications, 2011
Eva Žurek
exaly  

EVO—Evolutionary algorithm for crystal structure prediction

Computer Physics Communications, 2013
Jens Kortus
exaly  

Crystal Structure Prediction

2004
openaire   +1 more source

Fast clustering of equivalent structures in crystal structure prediction

Journal of Computational Chemistry, 1997
Bouke P. van Eijck, Jan Kroon
openaire   +1 more source

Crystal structure prediction usingab initioevolutionary techniques: Principles and applications

Journal of Chemical Physics, 2006
Artem R Oganov, Colin W Glass, Oganov Artem R   +2 more
exaly  

XtalOpt version r11: An open-source evolutionary algorithm for crystal structure prediction

Computer Physics Communications, 2018
Patrick Avery, Zackary Falls, Eva Žurek   +2 more
exaly  

Symmetry building Monte Carlo-based crystal structure prediction

Computer Physics Communications, 2014
Kyle Michel, Chris Wolverton
exaly  

High-pressure phases of CaCO3: Crystal structure prediction and experiment

Earth and Planetary Science Letters, 2006
Artem R Oganov, Colin W Glass, Shigeaki Ono   +2 more
exaly  

Crystal structure prediction and simulations of structural transformations: metadynamics and evolutionary algorithms

Phase Transitions, 2007
Roman Martoňák, Artem R Oganov, Colin W Glass   +2 more
exaly