Computational Condensed-Phase Chemistry
We develop first-principles theory and computation for exploring condensed-phase chemistry relevant to energy, environmental, and materials sciences. Our group also aims to provide Digital Twins to augment experiments via machine-learning force fields trained from first-principles electronic-structure theory.
News
2026-03-19
Teresa Shah presenting KRG research at the UNT COS Graduate Visitation Weekend poster session
2026-02-14
Congratulations! Akshath win poster award at TAMS Fair (photo credit: Kriti)
2026-02-14
Akshath Shastri (mentor: Teresa Shah) presenting at TAMS Fair (photo credit: Kriti)
2025-12-12
Group Outing (Lunch at Shuck Me)
2025-12-12
Welcome aboard Juliana!
