My Ph.D. research in the Subotnik's group (2012-2017) involved the understanding of surface hopping algorithms and their applications in condensed phase systems. I studied the entropic implication of traditional Tully-style surface hopping approaches. I also helped study the new flavors of surface hopping approach that treated a manifold of electronic states and applied the new approach to the study of electrochemistry. I have joined Susquehanna International Group, LLP as a quantitative developer.
As a graduate student in Prof. Joseph Subotnik’s research group (2011-2017), my research focuses on electronic structure theory for nonadiabatic dynamics. Currently I am a postdoc in Prof. Emily Carter's research group at Princeton University. My research here focuses on the development and improvement of embedding theory.
For my PhD research in the Subotnik group, I helped to develop new theoretical techniques for describing systems in which the nuclear dynamics and electronic structure are strongly coupled. This work included developing a new representation of diabatic electronic states, analytic forms for the coupling term between nuclear momentum and electronic state, and modelling charge separation in dye-sensitized solar cells. Currently I work as a developer at Schrodinger, Inc.
In Joe's group at UPenn (2012-2014), I was involved in a project to elucidate the photoinitiated dynamics in molecular system where multi-reference character is pronounced. At present, I'm working as an assistant professor at Indian Institute of Technology Bhubaneswar, India. My current research interests include development and application of theoretical and computational methods to study electron-atom/molecule scattering resonances, electronic structure, non-adiabatic effects and dynamics. Web: http://www.iitbbs.ac.in/profile.php/k.s.samanta/