Area of research
Fluid Flow and Transfer Processes · Materials Chemistry
Research interest
Research interests include Advanced Combustion Engine Technologies, Machine Learning in Materials Science, Computational Drug Discovery Methods, and Catalysis for Biomass Conversion.
Prediction of organic homolytic bond dissociation enthalpies at near chemical accuracy with sub-second computational cost
Quantum chemical calculations for over 200,000 organic radical species and 40,000 associated closed-shell molecules
Diels–Alder Reactivities of Strained and Unstrained Cycloalkenes with Normal and Inverse-Electron-Demand Dienes: Activation Barriers and Distortion/Interaction Analysis
A Synthetic Recursive “+1” Pathway for Carbon Chain Elongation