Molecular Modeling and Computer Simulations of Condensed Matter

Understanding the molecular behavior of materials enables us to engineer them to have specific properties. Motivated by this, our research uses molecular modeling, statistical mechanics and computer simulations to study aqueous, polymeric and biological systems.





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 immobilizatio 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