I use a combination of various classical and quantum mechanical methods to predict properties of physical, chemical, and biological systems. Some of the areas of research I am currently working on are:
Electro/photochemical processes for metals separation
Eric Schelter (University of Pennsylvania) Jessica Anna (University of Pennsylvania)
Plasma driven solution electrochemistry
Peter Bruggeman (University of Minnesota) Renee Frontiera (University of Minnesota)
Artificial photosynthetic system design for water oxidation
Lin Chen (Northwestern University)
Plasmonic properties of self-assembled chiral nanoclusters
Chad Mirkin (Northwestern University)
Modulation of properties of molecules through mechanical strain
Danna Freedman (MIT) Gregory Fuchs (Cornell University)
Bottom-up design of molecular qubits
Michael Wasielewski (Northwestern University) Danna Freedman (MIT)
Effects of nuclear motion on electron transfer rates
Victor Batista (Yale University)
Chiral Induced Spin Selectivity (CISS) effect
George Schatz (Northwestern University) Joe Subotnik (University of Pennsylvania) David Waldeck (University of Pittsburgh)
Energy transfer in quantum dots
Emily Weiss (Northwestern University)
Clustering algorithms for improved partial charges on heavy metals
Uriel Morzan (International Centre for Theoretical Physics, Italy)
Quantum-field-theoretic approach to homogenization of elastic/electromagnetic properties of stochastic media
Puskar Mondal (Harvard University)
Inverse molecular design using machine learning
Debayan Gupta (Ashoka University, India)
Ravi Kothari (Ashoka University, India)
Research Centers
Apart from Yale University and Northwestern University, over the past years I have been affiliated with these research centers:
Computational Resources
A significant portion of the computational component of my research was done at these supercomputing facilities:
Research Funding
Most of my research over the past years has been possible thanks to generous funding from these sources:
