Version 11 of XtalOpt, an evolutionary algorithm for crystal structure prediction, has now been made available for download from the CPC library or the XtalOpt website, http://xtalopt.github.io. Whereas the previous versions of XtalOpt were published under the Gnu Public License (GPL), the current version is made available under the 3-Clause BSD License, which is an open source license that is recognized by the Open Source Initiative. Importantly, the new version can be executed via a command line interface (i.e., it does not require the use of a Graphical User Interface). Moreover, the new version is written as a stand-alone program, rather than an extension to Avogadro
ilustrado is a Python package that implements a highly-customisable massively-parallel genetic algor...
This article describes the application of our distributed computing framework for crystal structure ...
A genetic algorithm is used as the basis of a new technique for crystal structure solution from powd...
A new version of XtalOpt, an evolutionary algorithm for crystal structure prediction, is available f...
Version 12 of XtalOpt, an evolutionary algorithm for crystal structure prediction, is now available ...
This program has been imported from the CPC Program Library held at Queen's University Belfast (1969...
This program has been imported from the CPC Program Library held at Queen's University Belfast (1969...
This program has been imported from the CPC Program Library held at Queen's University Belfast (1969...
www.elsevier.com/locate/cpc We approach the problem of computational crystal structure prediction, i...
Summary: XtalPred is a web server for prediction of protein crystallizability. The prediction is mad...
The layout of the thesis is as follow: In Chapter 1, we present the theoretical background of DFT, P...
This program has been imported from the CPC Program Library held at Queen's University Belfast (1969...
Obtaining diffraction quality crystals remains one of the major bottlenecks in structural biology. T...
A new algorithm, RandSpg, that can be used to generate trial crystal structures with specific space ...
Ab initio methods allow a more or less straightforward prediction of numerous physical properties of...
ilustrado is a Python package that implements a highly-customisable massively-parallel genetic algor...
This article describes the application of our distributed computing framework for crystal structure ...
A genetic algorithm is used as the basis of a new technique for crystal structure solution from powd...
A new version of XtalOpt, an evolutionary algorithm for crystal structure prediction, is available f...
Version 12 of XtalOpt, an evolutionary algorithm for crystal structure prediction, is now available ...
This program has been imported from the CPC Program Library held at Queen's University Belfast (1969...
This program has been imported from the CPC Program Library held at Queen's University Belfast (1969...
This program has been imported from the CPC Program Library held at Queen's University Belfast (1969...
www.elsevier.com/locate/cpc We approach the problem of computational crystal structure prediction, i...
Summary: XtalPred is a web server for prediction of protein crystallizability. The prediction is mad...
The layout of the thesis is as follow: In Chapter 1, we present the theoretical background of DFT, P...
This program has been imported from the CPC Program Library held at Queen's University Belfast (1969...
Obtaining diffraction quality crystals remains one of the major bottlenecks in structural biology. T...
A new algorithm, RandSpg, that can be used to generate trial crystal structures with specific space ...
Ab initio methods allow a more or less straightforward prediction of numerous physical properties of...
ilustrado is a Python package that implements a highly-customisable massively-parallel genetic algor...
This article describes the application of our distributed computing framework for crystal structure ...
A genetic algorithm is used as the basis of a new technique for crystal structure solution from powd...