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(→Computational Chemistry Applications) |
(→Computational Chemistry Applications) |
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|'''Stage''' | |'''Stage''' | ||
|- | |- | ||
| - | |'''CFD''' | + | |'''[http://wiki.hp-see.eu/index.php/CFD CFD] ''' |
|Analysis of Combustion | |Analysis of Combustion | ||
|Faculty of Mech. Engineering, University of Banja Luka (UoBL), Bosnia - Herzegovina | |Faculty of Mech. Engineering, University of Banja Luka (UoBL), Bosnia - Herzegovina | ||
|concept | |concept | ||
|- | |- | ||
| - | |'''CompChem''' | + | |'''[http://wiki.hp-see.eu/index.php/CompChem CompChem]''' |
|Quantum Mechanical, Molecular Mechanics, and Molecular Dynamics computation in chemistry | |Quantum Mechanical, Molecular Mechanics, and Molecular Dynamics computation in chemistry | ||
|Univeristy of Belgrade, Faculty of Chemistry, Republic of Serbia | |Univeristy of Belgrade, Faculty of Chemistry, Republic of Serbia | ||
|testing | |testing | ||
|- | |- | ||
| - | |'''FMD-PA''' | + | |'''[http://wiki.hp-see.eu/index.php/FMD-PA FMD-PA]''' |
|Design of fullerene and metal-diothiolene-based materials for photonic applications | |Design of fullerene and metal-diothiolene-based materials for photonic applications | ||
|Computational Chemistry Group of NHRF, Greece | |Computational Chemistry Group of NHRF, Greece | ||
|beta | |beta | ||
|- | |- | ||
| - | |'''HC-MD-QM-CS''' | + | |'''[http://wiki.hp-see.eu/index.php/HC-MD-QM-CS HC-MD-QM-CS]''' |
|Hybrid Classical/Quantum Molecular Dynamics – Quantum Mechanical Computer Simulation of Condensed Phases | |Hybrid Classical/Quantum Molecular Dynamics – Quantum Mechanical Computer Simulation of Condensed Phases | ||
|UKIM, Institute of Chemistry, Faculty of Natural Science and Mathematics, FYROM | |UKIM, Institute of Chemistry, Faculty of Natural Science and Mathematics, FYROM | ||
|alpha | |alpha | ||
|- | |- | ||
| - | |'''ISyMAB''' | + | |'''[http://wiki.hp-see.eu/index.php/ISyMAB ISyMAB]''' |
|Integrated System for Modeling and data Analysis of complex Biomolecules | |Integrated System for Modeling and data Analysis of complex Biomolecules | ||
|IFIN-HH/DPETI, Romania | |IFIN-HH/DPETI, Romania | ||
|concept | |concept | ||
|- | |- | ||
| - | |'''MDCisplatin''' | + | |'''[http://wiki.hp-see.eu/index.php/MDCisplatin MDCisplatin]''' |
|Molecular Design of Platinum Group Metal Complexes as Potential Non-classical Cisplatin Analogues | |Molecular Design of Platinum Group Metal Complexes as Potential Non-classical Cisplatin Analogues | ||
|Acad. Roumen Tsanev Institute of Molecular Biology-BAS, Bulgaria | |Acad. Roumen Tsanev Institute of Molecular Biology-BAS, Bulgaria | ||
|concept | |concept | ||
|- | |- | ||
| - | |'''PCACIC''' | + | |'''[http://wiki.hp-see.eu/index.php/PCACIC PCACIC]''' |
|Principal component analysis of the conformational interconversions in large-ring cyclodextrins | |Principal component analysis of the conformational interconversions in large-ring cyclodextrins | ||
|IOCCP-BAS, Bulgaria | |IOCCP-BAS, Bulgaria | ||
Revision as of 10:30, 7 March 2011
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Computational Chemistry Applications
| Acronym | Application Name | Main developer | Stage |
| CFD | Analysis of Combustion | Faculty of Mech. Engineering, University of Banja Luka (UoBL), Bosnia - Herzegovina | concept |
| CompChem | Quantum Mechanical, Molecular Mechanics, and Molecular Dynamics computation in chemistry | Univeristy of Belgrade, Faculty of Chemistry, Republic of Serbia | testing |
| FMD-PA | Design of fullerene and metal-diothiolene-based materials for photonic applications | Computational Chemistry Group of NHRF, Greece | beta |
| HC-MD-QM-CS | Hybrid Classical/Quantum Molecular Dynamics – Quantum Mechanical Computer Simulation of Condensed Phases | UKIM, Institute of Chemistry, Faculty of Natural Science and Mathematics, FYROM | alpha |
| ISyMAB | Integrated System for Modeling and data Analysis of complex Biomolecules | IFIN-HH/DPETI, Romania | concept |
| MDCisplatin | Molecular Design of Platinum Group Metal Complexes as Potential Non-classical Cisplatin Analogues | Acad. Roumen Tsanev Institute of Molecular Biology-BAS, Bulgaria | concept |
| PCACIC | Principal component analysis of the conformational interconversions in large-ring cyclodextrins | IOCCP-BAS, Bulgaria | alpha |
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