A new universal Web interface to quantum chemistry programs

A new software package has been developed, aiming to create a uniform user interface to various quantum chemistry program systems. The interface is based on Web technologies, and therefore it can be used to provide remote access to supercomputing resources and facilitate teamwork in geographically d...

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Bibliographic Details
Published inInternational journal of quantum chemistry Vol. 100; no. 4; pp. 645 - 648
Main Authors Moskovsky, Alexander A., Vanovsky, Vitaly V., Granovsky, Alexander A., Firsov, Denis A., Nemukhin, Alexander V.
Format Journal Article
LanguageEnglish
Published New York John Wiley & Sons, Inc 2004
Subjects
Quantum chemistry
Web interface
WebQC
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Summary:A new software package has been developed, aiming to create a uniform user interface to various quantum chemistry program systems. The interface is based on Web technologies, and therefore it can be used to provide remote access to supercomputing resources and facilitate teamwork in geographically distributed research groups. A special feature of our approach is that any new quantum chemistry program can be easily integrated into the system by rewriting configuration files only. © 2004 Wiley Periodicals, Inc. Int J Quantum Chem, 2004
Bibliography:istex:63B406A46C6659E0629C7B506117E73903AB8AD1
ArticleID:QUA20185
ark:/67375/WNG-TNV7B4T8-0
ISSN:0020-7608
1097-461X
DOI:10.1002/qua.20185