Add to ORKGThe problem of crystal structure prediction is very old and does, in fact, constitute the central problem of theoretical crystal chemistry. In this paper, we talk about the USPEX evolutionary algorithm. Here we present the distributed computing implementation of the USPEX based on a popular BOINC volunteer computing platform. In the talk we present experimental results and discuss project performance
Molecular crystals are a class of materials that are held together by weak van der Waals interaction...
A new computational framework is developed for the evolutionary determination of molecular crystal s...
In this paper, we describe a new distributed computing framework for crystal structure prediction th...
www.elsevier.com/locate/cpc We approach the problem of computational crystal structure prediction, i...
Ab initio methods allow a more or less straightforward prediction of numerous physical properties of...
Abstract Evolutionary algorithms, based on physically motivated forms of varia-tion operators and lo...
Prediction of the stable crystal structure on the basis of only the chemical composition is one of t...
Interface was developed for use of CRYSTAL code (a computational tool for solid-state chemistry and ...
Abstract: In this paper, we describe a new distributed computing framework for crystal structure pre...
This article describes the application of our distributed computing framework for crystal structure ...
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...
Molecular crystals are a class of materials that are held together by weak van der Waals interaction...
Molecular crystals are a class of materials that are held together by weak van der Waals interaction...
Molecular crystals are a class of materials that are held together by weak van der Waals interaction...
Molecular crystals are a class of materials that are held together by weak van der Waals interaction...
A new computational framework is developed for the evolutionary determination of molecular crystal s...
In this paper, we describe a new distributed computing framework for crystal structure prediction th...
www.elsevier.com/locate/cpc We approach the problem of computational crystal structure prediction, i...
Ab initio methods allow a more or less straightforward prediction of numerous physical properties of...
Abstract Evolutionary algorithms, based on physically motivated forms of varia-tion operators and lo...
Prediction of the stable crystal structure on the basis of only the chemical composition is one of t...
Interface was developed for use of CRYSTAL code (a computational tool for solid-state chemistry and ...
Abstract: In this paper, we describe a new distributed computing framework for crystal structure pre...
This article describes the application of our distributed computing framework for crystal structure ...
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...
Molecular crystals are a class of materials that are held together by weak van der Waals interaction...
Molecular crystals are a class of materials that are held together by weak van der Waals interaction...
Molecular crystals are a class of materials that are held together by weak van der Waals interaction...
Molecular crystals are a class of materials that are held together by weak van der Waals interaction...
A new computational framework is developed for the evolutionary determination of molecular crystal s...
In this paper, we describe a new distributed computing framework for crystal structure prediction th...