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Keywords: ab-initio

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11 projects found matching your search criteria:

1. Ab-initio Green's function methods for modeling magnetic compounds with strong spin orbit coupling

Principal investigator: prof. Dominika Kamila Zgid

Uniwersytet Warszawski

Call: OPUS 27, Panel: ST4
2. Stuidies of the dependance the chemical composition on the structure anf magnetic properties of new generation magnetoca…

Principal investigator: Marcin Sebastian Polak

Instytut Metali Nieżelaznych

Call: PRELUDIUM 5, Panel: ST5
3. Studies of the dependance the chemical composition on the structure and magnetic properties of new generation magnetocal…

Principal investigator: dr Łukasz Hawełek

Instytut Metali Nieżelaznych

Call: SONATA 1, Panel: ST5
4. Refinement of the OPLS-AA force field parameters for selected phospholipids on the basis of quantum-mechanical calculati…

Principal investigator: dr Anna Wójcik-Augustyn

Uniwersytet Jagielloński, Wydział Biochemii, Biofizyki i Biotechnologii

Call: SONATA 9, Panel: ST4
5. Ab initio prediction of structures and properties of metal-organic frameworks for sensor applications

Principal investigator: dr Mihails Arhangelskis

Uniwersytet Warszawski, Wydział Chemii

Call: SONATA 14, Panel: ST5
6. Ab initio calculations as effective tool for designing ESIPT dual emitters

Principal investigator: Anna Maria Grabarz

Politechnika Wrocławska, Wydział Chemiczny

Call: PRELUDIUM 14, Panel: ST4
7. Influence of substitution of rare earth and transition metals on the electronic, magnetic, ferroelectric and optical pro…

Principal investigator: prof. Andrzej Stanisław Jezierski

Instytut Fizyki Molekularnej PAN

Call: OPUS 1, Panel: ST3
8. Theoretical and Experimental Development of Bi/Sb Based Perovskites for Optoelectronic Applications

Principal investigator: dr hab. Anna Barbara Gągor

Instytut Niskich Temperatur i Badań Strukturalnych im. Włodzimierza Trzebiatowskiego PAN

Call: OPUS 22, Panel: ST5
9. Thermodynamic properties of alloys from Mg-Pd and Mg-Pt systems

Principal investigator: dr hab. Adam Kazimierz Dębski

Instytut Metalurgii i Inżynierii Materiałowej im. Aleksandra Krupkowskiego PAN

Call: OPUS 16, Panel: ST8
10. Chemistry at the limits: theoretical studies of Noble-gas containing species at ultra-high pressures [1-500 GPa]

Principal investigator: dr Patryk Adam Zaleski-Ejgierd

Instytut Chemii Fizycznej Polskiej Akademii Nauk

Call: OPUS 3, Panel: ST3
11. Electronic transport properties of molecular junctions: A novel approach to include temperature effects

Principal investigator: Rafał Jan Topolnicki

Uniwersytet Wrocławski, Wydział Fizyki i Astronomii

Call: PRELUDIUM 12, Panel: ST3

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