Sosthène’s research work lies in theoretical condensed matter physics where he uses ab initio electronic structure (mainly, density functional theory), machine learning and molecular dynamics methods to study the evolution of molecules on solid interfaces. His PhD research focuses on using accurate and efficient classical and quantum molecular dynamics simulations to understand the light-driven dissociation of water on the surface of solid catalysts(photocatalytic water splitting). In addition to his doctoral research work, he serves as a teaching assistant(TA) for the masters courses, quantum mechanics(QM) I and Electrons and Phonons in Solids(EPS). Prior to joining the group, he served as an assistant lecturer in physics at Rwanda Polytechnic-Integrated Regional College(IPRC) of Musanze.
Simulation of Water Dissociation on Surface for Photocatalytic Splitting using Classical and Quantum Molecular Dynamics.