Started in May 2019 by Dr Steve Ndengue at the ICTP-East African Institute for Fundamental Research as the QDRG, the scientific interests of the MolQuantDyn Lab which moved to Haverford College covers the fields of atomic, molecular, chemical and condensed matter physics. A common trend in our research involves solving the Schrödinger equation with state-of-the-art numerical methods in order to understand the structure and dynamics of atoms, molecules and materials under various conditions. The application fields of these studies are multidisciplinary and cover a wide range of domains such as atmospheric chemistry, combustion, astrophysics/astrochemistry as well as catalysis. In the past, we have worked on several projects such as the confinement of atoms and molecules and the photochemistry of molecules of atmospheric interest. More recently the collisional dynamics of molecular systems, method development in quantum dynamics and heterogeneous catalysis are becoming the major research directions of our group. We are using the Heidelberg MCTDH package in our research. The MultiConfiguration Time Dependent Hartree (MCTDH) method is a very efficient approach to solve the Schrödinger equation in high dimensionality. Check our projects to learn more about our research.
Current Projects
METHOD DEVELOPMENT IN MQD AND QC
We work of developing methods and strategies for approapriate PES representation and quantum dynamical simulations.
ASTROPHYSICS - ASTROCHEMISTRY
Quantum calculations of cross-sections and rates for predicting laboratory and space observations.
ATMOSPHERIC CHEMISTRY AND PHYSICS
Quantum dynamical simulations of cross-sections and rates to understand atmospheric processes.
MOLECULE-SURFACE DYNAMICS
We use classical and quantum dynamics approaches to understand, at a fundamental level, heterogeneous catalytic processes.
Past Projects
CONFINEMENT OF ATOMS AND MOLECULES
Electronic structure and polarizability of atoms and molecules under spatial confinement.
