Updates

New Group Papers Published Online [April, 2026]

We are pleased to share that two papers from the group are now online in PCCP and RSC Mechanochemistry.

Celebrating DFE Qualifications and a First Group Paper [April, 2026]

Congratulations to Abebaw, Adebola, and Surya on their DFE qualification, and to Sampad on his first PCCP paper from the group.

NERSC and ALCF HPC Awards [October, 2025]

The group has been awarded a NERSC (National Energy Research Scientific Computing Center) Director Reserve Allocation Award and an ALCF (Argonne Leadership Computing Facility) Director’s Discretionary (DD) Allocation Award for high-performance computing time.

Welcome Sampad!! [December, 2025]

We are pleased to welcome Sampad Mandal as a new postdoctoral researcher in the group. Sampad holds a Ph.D. in Chemistry (Computational Materials Science) from Visva-Bharati University, Santiniketan, India, and an M.Sc. in Chemistry from The University of Burdwan, India.

Welcome Adebola!! [November, 2025]

We are delighted to welcome Omoyeni Adebola Daniel as a new graduate student in the group. Adebola will be working at the intersection of machine learning and quantum information science.

Welcome Surya!! [November, 2025]

We are delighted to welcome Suryakanta Nath as a new graduate student in the group. His work will focus on developing chemistry-informed machine learning methods for electrochemistry.

Welcome Abebaw!! [November, 2025]

We are delighted to welcome Abebaw Matebu Seyume as a new graduate student in the group. He will be working at the intersection of battery science and chemistry-informed machine learning.