Area of research
Atomic and Molecular Physics, and Optics · Materials Chemistry
Research interest
Research interests include Advanced Chemical Physics Studies, Spectroscopy and Quantum Chemical Studies, Machine Learning in Materials Science, and Computational Drug Discovery Methods.
Designing Polymers with Molecular Weight Distribution-Based Machine Learning
Electrocatalysis in Alkaline Media and Alkaline Membrane-Based Energy Technologies
Elucidating Cathodic Corrosion Mechanisms with Operando Electrochemical Transmission Electron Microscopy
Expeditious synthesis of aromatic-free piperidinium-functionalized polyethylene as alkaline anion exchange membranes
Dual electrocatalysis enables enantioselective hydrocyanation of conjugated alkenes
Enabling Large-Scale Condensed-Phase Hybrid Density Functional Theory Based <i>Ab Initio</i> Molecular Dynamics. 1. Theory, Algorithm, and Performance
Accurate molecular polarizabilities with coupled cluster theory and machine learning
Isotope effects in liquid water via deep potential molecular dynamics
Coherent, atomically thin transition-metal dichalcogenide superlattices with engineered strain
Hydroxide diffuses slower than hydronium in water because its solvated structure inhibits correlated proton transfer
Exploiting Molecular Weight Distribution Shape to Tune Domain Spacing in Block Copolymer Thin Films
Unraveling substituent effects on the glass transition temperatures of biorenewable polyesters
First-Principles Models for van der Waals Interactions in Molecules and Materials: Concepts, Theory, and Applications
Report on the sixth blind test of organic crystal structure prediction methods
Wavelike charge density fluctuations and van der Waals interactions at the nanoscale
Advances in molecular quantum chemistry contained in the Q-Chem 4 program package