Acharya Computational Chemistry Laboratory

ACompChemLab

December 2024: Welcome to the newest members of the group. Shashith, Pratima, and Vivanthi joined the lab as graduate students.
July 2024: Our first paper on machine learning is published in J. Chem. Theory Comp. Congratulations to Dr. Ronit Sarangi for leading the work and to Suman Maity for the contributions!!!
July 2024: Alumni news - Congratulations to Micaela for being selected by NREL through the DOE SULI program.
May 2024: Our collaborative work with the Dutta lab at Georgia State is out in J. Phys. Chem. Lett. Congratulations to Dr. Sasthi Mandal on the first publication from the group.
May 2024: Congratulations to Suman Maity for a successful qualifying exam and officially becoming a PhD candidate.
September 2023: Our fluorophore paper is published in Angewandte Chemie. Congratulations to Suman Maity on his second paper.
September 2023: We welcome Dr. Ronit Sarangi as a postdoc in the lab. Ronit joins us from USC.
August 2023: $$$$ We are awarded the NIGMS R35 MIRA grant. It will support the lab for five years!!!!
April 2023: We welcome Dr. Sasthi Charan Mandal as the first postdoc in the lab.

We investigate the role of the native environments in complex (bio)chemical processes using multiscale computational approaches