Specifically, current research efforts are directed towards the fundamental understanding of hydrogen bonded and hydrogen transfer systems, and the detailed study of electron transport in molecular wire systems.
Keywords: Theoretical and Computational Chemistry and Chemical Physics
Interests:
- Study of rare events: hydrogen transfer reactions in biological enzymes and atmospheric systems
- Vibrational spectroscopy and energy redistribution in hydrogen bonded systems
- Non-equilibrium, open system dynamics and electron transport
- Graph theoretic methods for dynamics of electrons and nuclei with post-Hartree-Fock accuracy
- Quantum nuclear dynamics with tensor networks
- Potential energy surfaces in arbitrary dimensions with information theoretic measures and graph theoretic methods for electronic structure
Subject areas:
- Materials
- Physical
- Energy
- Life
