Prof. Dr. Sharifuddin bin Md Zain                      

Associate Prof. Dr. Vannajan Sanghiran Lee

Dr. Tang Wai Kit     (Personal Webpage)

Cheminformatics

Machine Learning

Python Programming

Chemistry Workflow Optimization

Deep Learning Logistics Regression

Computer Aided Molecular Modelling and Simulations

Molecular Dynamics

Bioinformatics

Molecular Docking

Ab initio

Density Functional Theory (DFT)

Transition state theory

Excited state calculations

Thermal activated delay fluorescence (TADF)

Infrared and UV spectrum

DFT based Molecular Dynamics (DFT-MD)

Constrained molecular dynamics