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Profil
| Derzeitige Stellung | Professor W-3 und Äquivalente |
|---|---|
| Fachgebiet | Theoretische Chemie: Elektronenstruktur, Dynamik, Simulation,Theoretische Physik der Kondensierten Materie |
| Keywords | Ab initio molecular dynamics, Conformational sampling of biomolecules, Path integrals, Proton transport, Surface chemistry |
Aktuelle Kontaktadresse
| Land | USA |
|---|---|
| Ort | New York |
| Universität/Institution | New York University |
| Institut/Abteilung | Department of Chemistry |
Gastgeber*innen während der Förderung
| Prof. Dr. Dominik Marx | Lehrstuhl für Theoretische Chemie, Ruhr-Universität Bochum, Bochum |
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| Beginn der ersten Förderung | 01.06.2006 |
Programm(e)
| 2005 | Friedrich Wilhelm Bessel-Forschungspreis-Programm |
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Projektbeschreibung der*des Nominierenden
| Prof. Mark Tuckerman is currently an associate professor of Theoretical Chemistry and Mathematics at New York University. He uses the fundamental laws of Physics in order to understand Chemistry in the "Virtual Laboratory". Examples are the simulation of fuel cells, processes that dictate protein structure, and molecular-sized electronic devices. With Prof. Dominik Marx, Lehrstuhl fuer Theoretische Chemie at Ruhr-Universität Bochum, he will develop methods for simulating the quantum dynamics of large molecular systems, a high-risk, potentially high impact project that is typically not funded through the standard funding channels. |
Publikationen (Auswahl)
| 2007 | Amalendu Chandra, Mark E. Tuckerman, Dominik Marx: Connecting solvation shell structure to proton transport kinetics in hydrogen-bonded networks via population correlation functions. In: Physical Review Letters, 2007, 145901-1-145901-4 |
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| 2006 | Mark E. Tuckerman, Amalendu Chandra, Dominik Marx: Structure and dynamics of OH-(aq). In: Accounts of Chemical Research, 2006, 151-158 |