Crystal structure algorithm (CryStAl): a metaheuristic optimization method
… algorithm, here we propose a novel metaheuristic called Crystal Structure Algorithm (CryStAl…
by the principles underlying the formation of crystal structures from the addition of the basis …
by the principles underlying the formation of crystal structures from the addition of the basis …
Multi-objective crystal structure algorithm (MOCryStAl): Introduction and performance evaluation
… proposed metaheuristic algorithm called Crystal Structure Algorithm (CryStAl) which was …
the formation crystal structures. For the performance evaluation of this algorithm which is called …
the formation crystal structures. For the performance evaluation of this algorithm which is called …
XtalOpt: An open-source evolutionary algorithm for crystal structure prediction
The implementation and testing of XtalOpt, an evolutionary algorithm for crystal structure
prediction, is outlined. We present our new periodic displacement (ripple) operator which is …
prediction, is outlined. We present our new periodic displacement (ripple) operator which is …
An adaptive genetic algorithm for crystal structure prediction
… To validate the adaptive-GA for complex crystal structure prediction we searched for structures
of the Hf 2 Co 7 binary alloy with 36 atoms per unit cell and of the ZrCo 3 B 2 ternary alloy …
of the Hf 2 Co 7 binary alloy with 36 atoms per unit cell and of the ZrCo 3 B 2 ternary alloy …
EVO—Evolutionary algorithm for crystal structure prediction
S Bahmann, J Kortus - Computer Physics Communications, 2013 - Elsevier
… We apply an evolutionary algorithm to crystal structure prediction, which … eg crystal structures,
one refers to the algorithm as an evolution strategy. Historically, the term genetic algorithm …
one refers to the algorithm as an evolution strategy. Historically, the term genetic algorithm …
The application of a genetic algorithm for solving crystal structures from powder diffraction data
BM Kariuki, H Serrano-González, RL Johnston… - Chemical Physics …, 1997 - Elsevier
… of a genetic algorithm to tackle crystal structure solution from powder diffraction data in
the case of a previously unknown structure — ortho-thymotic acid. In the structure solution …
the case of a previously unknown structure — ortho-thymotic acid. In the structure solution …
Crystal structure prediction by combining graph network and optimization algorithm
… crystal structures and their formation enthalpies at the given database, and this GN model was
then combined with an optimization algorithm … database, crystal graph representation, and …
then combined with an optimization algorithm … database, crystal graph representation, and …
How Evolutionary Crystal Structure Prediction Works and Why
… to predict crystal structures at … algorithms have been applied to crystals since 1995, but with
limited success, which necessitated the development of a very different evolutionary algorithm…
limited success, which necessitated the development of a very different evolutionary algorithm…
[HTML][HTML] Design optimization of fuzzy controllers in building structures using the crystal structure algorithm (CryStAl)
… Crystal Structure Algorithm (CryStAl) to achieve optimized vibration control in structural
engineering. More specifically, this algorithm, … that the Crystal Structure Algorithm is capable of …
engineering. More specifically, this algorithm, … that the Crystal Structure Algorithm is capable of …
The prediction of inorganic crystal structures using a genetic algorithm and energy minimisation
SM Woodley, PD Battle, JD Gale… - Physical Chemistry …, 1999 - pubs.rsc.org
… initial crystallographic co-ordinates are randomly generated then varied using either a genetic
algorithm (… Our technique of crystal structure prediction from a knowledge of the unit cell …
algorithm (… Our technique of crystal structure prediction from a knowledge of the unit cell …