ASTROPHYSICS - ASTROCHEMISTRY
About
Our group is interested in the observation and prediction of phenomena related to space. In particular, we study the spectroscopy of molecules and complexes of relevance in astrophysics and astrochemistry so as to facilitate their observation. Quite often our calculations are validated with available experimental data. A significant part of our work in this direction is to compute state-to-state cross-sections for relevant molecules from the Interstaellar Medium (ISM): we make a particular emphasis in the study of systems in high dimensionality where standard close-coupling prove to be challenging. Our goal is to establish exact quantum dynamical benchmark for system which are difficult to tackle with exact method but which could more rapidly be surveyed with more approximate methods.
Representative Work
- Inelastic scattering of H2CCO ketene induced by He atoms and non-LTE analysis, JCP (2026).
- Rigid rotor state-to-state cross-sections and rates of the PH3+H2 collision, PCCP (2025).
- A New Potential Energy Surface of the PO+-H2 Complex and Intermolecular Rovibrational State Calculations, JPCA (2025).
- Temperature-dependent rotationally inelastic collisions of OH- and He, PRA (2021).
- Theoretical investigation of the H+HD→D+H2 chemical reaction for astrophysical applications: A state-to-state quasi-classical study, JCP (2020).
People
Steve Ndengue
Ellie Park
Heshu Yin
