Results 241 to 250 of about 101,057 (252)

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

Crystal structure prediction usingab initioevolutionary techniques: Principles and applications

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

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

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

Symmetry building Monte Carlo-based crystal structure prediction

Computer Physics Communications, 2014
Chris Wolverton
exaly  

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

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

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

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

De Novo Determination of the Crystal Structure of a Large Drug Molecule by Crystal Structure Prediction-Based Powder NMR Crystallography

Journal of the American Chemical Society, 2013
, Maria Baias, Jean-Nicolas Dumez
exaly  

Molecular Crystal Structure Prediction

2017
Sarah L. Price, Jan Gerit Brandenburg
openaire   +1 more source