Our goal is to study the structural and dynamic properties of complex molecular systems to better understand the relationship between molecular interactions and...
Theory & Computation
Theoretical and computational chemistry provides explanations to chemical phenome-na from molecular perspectives and predicts properties of molecules, biomolecules, and materials. Methodologies in theoretical and computational chemistry include quantum chemistry, quantum dynamics, statistical mechanics, molecular simulation, molecular modeling, and machine learning.
Lee’s group is focused on exploring the unusual chemistry of transition metal complexes using advanced computational approaches, aiming to accelerate the discov...
Our ultimate goal is to understand detailed mechanisms underlying biological phenomena using computational and theoretical tools, and to contribute to curing di...
Our research interests are in the area of theoretical and computational chemistry. Understanding the properties and the changes of materials at the molecular le...
We use molecular simulations to solve problems that are critical in energy/bio applications. We use/develop statistical mechanics / molecular dynamics / coarse-...
