Quin Hu
Dr. Hu is a Visiting Assistant Professor in the Chemistry Department at Washington College teaching CHE220 Quantitative Chemical Analysis, and upper level physical chemistry courses, CHE305 Thermodynamics, and CHE306 Quantum Chemistry.
Education
- Ph.D., Computational Chemistry, University of Minnesota Twin Cities, 2024
Academic Expertise
- Chemistry
- Computational Chemistry
- Quantum Mechanics
- Machine Learning and AI
- Biochemistry
- Biophysics
Dr. Hu is a computational chemist specializes in computational modeling of chemical reactions and applying AI as a statistical tool in chemistry research. Students in his lab utilize a variety of theoretical tools such as quantum mechanics, Newtonian molecular dynamics, and machine learning to model chemical systems at atomic scales. This gives us an opportunity to understand the energetics and thermodynamic properties of chemical processes, and allows us to visualize chemical phenomenon including organic reactions and catalysis in biological enzymes.
Additional Information
- Training Transferable Interatomic Neural Network Potentials for Reactive Chemistry: Improved Chemical Space Sampling
- Neural network potentials for reactive chemistry: CASPT2 quality potential energy surfaces for bond breaking
- Editing domain motions preorganize the synthetic active site of prolyl-tRNA synthetase
- Crowder-Induced Conformational Ensemble Shift in Escherichia coli Prolyl-tRNA Synthetase
- Cyclic Changes in Active Site Polarization and Dynamics Drive the “Ping-pong” Kinetics in NRH: Quinone Oxidoreductase 2: An Insight from QM/MM Simulations