XTALOPT  version r9: An open-source evolutionary algorithm for crystal structure prediction

Zackary Falls; David C. Lonie; Patrick Avery; Andrew Shamp; Eva Zurek

doi:10.1016/j.cpc.2015.09.018

XTALOPT version r9: An open-source evolutionary algorithm for crystal structure prediction

Zackary Falls
, David C. Lonie
, Patrick Avery
, Andrew Shamp
, Eva Zurek

Kitware, Inc
SUNY Buffalo

Research output: Contribution to journal › Article › peer-review

16 Scopus citations

Abstract

A new version of XTALOPT, an evolutionary algorithm for crystal structure prediction, is available for download from the CPC library or the XTALOPT website, http://xtalopt.github.io. XTALOPT is published under the Gnu Public License (GPL), which is an open source license that is recognized by the Open Source Initiative. The new version incorporates many bug-fixes and new features, as detailed below.

Original language	English
Pages (from-to)	178-179
Number of pages	2
Journal	Computer Physics Communications
Volume	199
DOIs	https://doi.org/10.1016/j.cpc.2015.09.018
State	Published - 2016

Keywords

Crystal structures
Evolutionary algorithm
Genetic algorithm
Structure prediction

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10.1016/j.cpc.2015.09.018

Cite this

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title = "XTALOPT version r9: An open-source evolutionary algorithm for crystal structure prediction",

abstract = "A new version of XTALOPT, an evolutionary algorithm for crystal structure prediction, is available for download from the CPC library or the XTALOPT website, http://xtalopt.github.io. XTALOPT is published under the Gnu Public License (GPL), which is an open source license that is recognized by the Open Source Initiative. The new version incorporates many bug-fixes and new features, as detailed below.",

keywords = "Crystal structures, Evolutionary algorithm, Genetic algorithm, Structure prediction",

author = "Zackary Falls and Lonie, \{David C.\} and Patrick Avery and Andrew Shamp and Eva Zurek",

note = "Publisher Copyright: {\textcopyright} 2015 Elsevier B.V.",

year = "2016",

doi = "10.1016/j.cpc.2015.09.018",

language = "English",

volume = "199",

pages = "178--179",

journal = "Computer Physics Communications",

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T2 - An open-source evolutionary algorithm for crystal structure prediction

AU - Falls, Zackary

AU - Lonie, David C.

AU - Avery, Patrick

AU - Shamp, Andrew

AU - Zurek, Eva

PY - 2016

Y1 - 2016

N2 - A new version of XTALOPT, an evolutionary algorithm for crystal structure prediction, is available for download from the CPC library or the XTALOPT website, http://xtalopt.github.io. XTALOPT is published under the Gnu Public License (GPL), which is an open source license that is recognized by the Open Source Initiative. The new version incorporates many bug-fixes and new features, as detailed below.

AB - A new version of XTALOPT, an evolutionary algorithm for crystal structure prediction, is available for download from the CPC library or the XTALOPT website, http://xtalopt.github.io. XTALOPT is published under the Gnu Public License (GPL), which is an open source license that is recognized by the Open Source Initiative. The new version incorporates many bug-fixes and new features, as detailed below.

KW - Crystal structures

KW - Evolutionary algorithm

KW - Genetic algorithm

KW - Structure prediction

UR - https://www.scopus.com/pages/publications/84992300385

U2 - 10.1016/j.cpc.2015.09.018

DO - 10.1016/j.cpc.2015.09.018

M3 - Article

AN - SCOPUS:84992300385

SN - 0010-4655

VL - 199

SP - 178

EP - 179

JO - Computer Physics Communications

JF - Computer Physics Communications

ER -

XTALOPT version r9: An open-source evolutionary algorithm for crystal structure prediction

Abstract

Keywords

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