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
This program has been imported from the CPC Program Library held at Queen's University Belfast (1969...
The problem of determining inorganic crystal structures with a large number of atoms from powder dif...
Production of diffracting crystals is a critical step in determining the three-dimensional structure...
A new version of XtalOpt, an evolutionary algorithm for crystal structure prediction, is available f...
Version 11 of XtalOpt, an evolutionary algorithm for crystal structure prediction, has now been made...
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...
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...
www.elsevier.com/locate/cpc We approach the problem of computational crystal structure prediction, i...
The layout of the thesis is as follow: In Chapter 1, we present the theoretical background of DFT, P...
Summary: XtalPred is a web server for prediction of protein crystallizability. The prediction is mad...
Obtaining diffraction quality crystals remains one of the major bottlenecks in structural biology. T...
Ab initio methods allow a more or less straightforward prediction of numerous physical properties of...
A genetic algorithm is used as the basis of a new technique for crystal structure solution from powd...
This program has been imported from the CPC Program Library held at Queen's University Belfast (1969...
The problem of determining inorganic crystal structures with a large number of atoms from powder dif...
Production of diffracting crystals is a critical step in determining the three-dimensional structure...
A new version of XtalOpt, an evolutionary algorithm for crystal structure prediction, is available f...
Version 11 of XtalOpt, an evolutionary algorithm for crystal structure prediction, has now been made...
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...
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...
www.elsevier.com/locate/cpc We approach the problem of computational crystal structure prediction, i...
The layout of the thesis is as follow: In Chapter 1, we present the theoretical background of DFT, P...
Summary: XtalPred is a web server for prediction of protein crystallizability. The prediction is mad...
Obtaining diffraction quality crystals remains one of the major bottlenecks in structural biology. T...
Ab initio methods allow a more or less straightforward prediction of numerous physical properties of...
A genetic algorithm is used as the basis of a new technique for crystal structure solution from powd...
This program has been imported from the CPC Program Library held at Queen's University Belfast (1969...
The problem of determining inorganic crystal structures with a large number of atoms from powder dif...
Production of diffracting crystals is a critical step in determining the three-dimensional structure...