HC-MD-QM-CS
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== General Information == | == General Information == | ||
| + | *Applization's name : ''Hybrid Classical/Quantum Molecular Dynamics – Quantum Mechanical Computer Simulation of Condensed Phases'' | ||
*Virtual Research Communities : Computational Chemistry Applications | *Virtual Research Communities : Computational Chemistry Applications | ||
| - | *Scientific contact : '' | + | *Scientific contact : ''Ljupco Pejov, ljupcop@iunona.pmf.ukim.edu.mk'' |
| - | *Technical contact : '' | + | *Technical contact : ''Ljupco Pejov, ljupcop@iunona.pmf.ukim.edu.mk'' |
| - | *Developers : UKIM, Institute of Chemistry, Faculty of Natural Science and Mathematics, FYROM | + | *Developers : ''Ljupco Pejov, UKIM, Institute of Chemistry, Faculty of Natural Science and Mathematics, FYROM'' |
| - | *Web site : | + | *Web site : |
| + | |||
== Application and Short Description == | == Application and Short Description == | ||
''Tobefilledin'' | ''Tobefilledin'' | ||
Revision as of 07:49, 6 July 2011
Contents |
General Information
- Applization's name : Hybrid Classical/Quantum Molecular Dynamics – Quantum Mechanical Computer Simulation of Condensed Phases
- Virtual Research Communities : Computational Chemistry Applications
- Scientific contact : Ljupco Pejov, ljupcop@iunona.pmf.ukim.edu.mk
- Technical contact : Ljupco Pejov, ljupcop@iunona.pmf.ukim.edu.mk
- Developers : Ljupco Pejov, UKIM, Institute of Chemistry, Faculty of Natural Science and Mathematics, FYROM
- Web site :
Application and Short Description
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Problems Solved
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Scientific and Social Impact
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Collaborations and Beneficiaries
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Technical features and HP-SEE implementation
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Usage Example
- Primary programming language : Tobefilledin
- Parallel programming paradigm : Tobefilledin
- Main parallel code : Tobefilledin
- Pre/post processing code : Tobefilledin
- Application tools and libraries : Enumerate (comma separated)
- Number of cores required : Tobefilledin
- Minimum RAM/core required : Tobefilledin
- Storage space during a single run : Tobefilledin
- Long-term data storage : Tobefilledin
Publications and Presentations
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