Area of research
Atomic and Molecular Physics, and Optics · Molecular Biology
Research interest
Research interests include Spectroscopy and Quantum Chemical Studies, Machine Learning in Materials Science, Photosynthetic Processes and Mechanisms, and Protein Structure and Dynamics.
Recent Developments in Amber Biomolecular Simulations
Amber 2021: Reference Manual
Open Repository and Bibliography (University of Luxembourg) 2021cited by 171position: middle
Open-Source Multi-GPU-Accelerated QM/MM Simulations with AMBER and QUICK
Harnessing the Power of Multi-GPU Acceleration into the Quantum Interaction Computational Kernel Program