Atanu Acharya

Dr. Atanu Acharya is an Assistant Professor in the Department of Chemistry at Syracuse University's College of Arts & Sciences. His research focuses on multiscale computational modeling of complex biological systems, with emphasis on long-range charge transport in bacterial respiration, excited-state allostery in light-sensitive proteins, nano-bio interactions, and machine learning applications for redox process modeling. He leads the ACompChemLab, which includes current graduate students Shashith Dass, Pratima Kumari, and Vivanthi Rajendran, and alumni like Micaela Alvarez (selected by NREL's DOE SULI program).

• Ph.D. in Chemistry, University of Southern California (2016)
• M.Sc. in Chemistry, Indian Institute of Technology Madras (2011)
• B.Sc. in Chemistry (Honors), Jadavpur University (2009)

Research Pillars:

• Long-Range Charge Transport: Investigates multi-heme cytochromes' role in bacterial respiration and their biotechnological applications in bioremediation and microbial fuel cells, focusing on outer membrane modulation of charge transport.
• Excited-State Allostery: Studies light-oxygen-voltage (LOV) and BLUF proteins to understand signal transmission mechanisms from flavin cofactors to output domains, with implications for optogenetics and cellular regulation.
• Nano-Bio Interfaces: Analyzes nanoplastic interactions with lipid bilayers and membrane proteins using MD simulations, addressing environmental impacts on marine and mammalian cells.
• Machine Learning Models: Develops ML frameworks to reduce computational costs in calculating redox parameters, enabling efficient modeling of hundreds of cofactors.

Recent Research Trends: His publications (2022-2025) reveal a focus on environmental applications of computational biophysics (nanoplastic penetration), optimization of protein-based nanowires, SARS-CoV-2 spike protein interactions, and ML-enhanced redox modeling. Collaborations span institutions like NREL and Georgia State University.

Scientific Recognition:

• National Institutes of Health Maximizing Investigators' Research Award (2023)
• Best Presentation at Molecular Biomedical (MBM) Seminar Series (2021)

Grants & Leadership: Currently leads NIH-NIGMS grant "Investigation of Long-Range Charge Transfer and Excited State Processes" (2023-2028). Serves on Biochemistry Steering Committee, Graduate Admission Committee, and Faculty Hiring Committee.

Laboratory & Team: The ACompChemLab at Syracuse University develops computational tools for photoinduced processes and electron transfer. Recent additions include postdoc Abhinav Gupta (Lehigh University) and graduate students Shashith Dass, Pratima Kumari, and Vivanthi Rajendran. The lab has produced first-author publications from Suman Maity and Sasthi Mandal.