Research
Site-specific chemical similarity
Transferable top-down CGMD parameterization for linear polymers (PSED)
Accelerated discovery of in-plane ordered MAX Phases (i-MAX) using HT-DFT computations and ML
Predicting the research octane Number (RON) of Gasolines Using Molecular Dynamics
From perovskite to spinel - a ML study of formation energy
Hackathon
iQuHack Quantum Computing Hackathon ()
Solid-State Materials Chemistry And Data Science Hackathon ()
ALCF AI Hackathon