July 2025: We welcome Dr. Abhinav Gupta as a postdoc in the lab. Abhinav joins us from Lehigh University.
July 2025: Our paper on the influence of sampling on redox properties is now accepted in J. Phys. Chem. B. Congratulations to Suman on a first-author publication.
May 2025: Our collaborative work on photoconductive peptides is published in Adv. Funct. Mater.
April 2025: Our paper on multiheme cytochromes is accepted in J. Chem. Info. Model. Congratulations to Sasthi for being the first author and to Ronit for additional contributions.
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 Ronit 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 Sasthi 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.
We investigate the role of the native environments in complex (bio)chemical processes using multiscale computational approaches