Molecular Modeling and Computer Simulations of Condensed Matter

Sarupria group uses molecular modeling, statistical mechanics and computer simulations to study aqueous, polymeric and biological systems. We develop and use multiscale modeling techniques and enhanced sampling techniques to study challenging problems in molecular simulations.

Sarupria group has a postdoc opening for simulations of biomolecular systems. Please find additional information on the position here: Postdoc opening

Sarupria is promoted with tenure to associate professor.

Sarupria receives the NSF CAREER grant to study ice nucleation on organic surfaces.

Sarupria receives the DTRA grant in collaboration with Dr. Mark Blenner to study immobilization of enzymes on membrane surfaces.

Sarupria receives the NSF grant to study ice nucleation on mica surfaces. This work combines experimental efforts in Dr. Will Cantrell's group (MTU) with simulation studies in Sarupria group to elucidate the surface effects on ice nucleation.

Sarupria receives the NSF DMREF grant to develop multiscale modeling framework to study membrane fouling. This effort also includes Drs. Scott Husson (ChemE), David Ladner (EEES) and Ilenia Batiato (Mechanical Engg. SDSU).

Sarupria receives the ACS PRF Doctoral New Investigator Award to study gas hydrate nucleation near surfaces