معرفی
David Manolopoulos is a Professor of Theoretical Chemistry at the University of Oxford, affiliated with St Edmund Hall. His research spans three decades, focusing on quantum mechanical effects in chemical dynamics, including gas phase reactions, condensed phase systems, and spin dynamics. He has developed widely used computational methods like Ring-Polymer Molecular Dynamics (RPMD) and semiclassical approaches for radical pair reactions.
- Education: BA in Natural Sciences (1984) and PhD in Theoretical Chemistry (1988) from the University of Cambridge.
- Career: Lecturer at University of Nottingham (1990), Lecturer at Oxford (1995), promoted to Professor in 2005.
His work emphasizes scalable quantum methods to address complex systems, with applications in gas phase dynamics (resonances, tunneling, non-adiabatic effects), condensed phase dynamics (nuclear quantum effects in water, para-hydrogen), and spin dynamics (radical pair magnetoreception, chemical compass models).
Recent publications highlight advancements in path integral methods, surface hopping, and quantum-classical hybrids for electron transfer, exciton dynamics, and thermal conductivity. His research group at Oxford integrates machine learning with molecular simulations.
- Scientific Awards:
- Marlow Medal (Royal Society of Chemistry, 1995)
- Corday-Morgan Medal (1997)
- Chemical Dynamics Award (2009)
- International Academy of Quantum Molecular Science Annual Prize (2000)
- Fellow of the Royal Society (2011)
- Member of the International Academy of Quantum Molecular Science (2013)
He has held editorial roles at the Journal of Chemical Physics (Associate Editor since 2008, Deputy Editor since 2015) and leads the Manolopoulos Group, which develops open-source software for quantum simulations.
