Surma Talapatra [email protected] 734-276-0771 930 N. University Ann Arbor MI, 48109-1055, U.S.A. EDUCATION The University of Michigan, Ann Arbor, MI Chemistry Graduate Student, Ph.D Candidate Indian Institute of Technology Delhi, New Delhi, India Master of Science, May 2008 Overall GPA 8.864/10.0 Lady Brabourne College, University of Calcutta, Kolkata, India Bachelor of Science, May 2006 First Class with Chemistry Honors Overall Percentage 67.0 RESEARCH EXPERIENCE University of Michigan, Dissertation Research, Chemistry Department PhD candidate in the research group of Prof. Eitan Geva (May 2010-August 2014) • Studied quantum effects in the calculation of vibrational energy relaxation rate constant and the prediction and analysis of the underlying relaxation mechansm in a number of condensed phase systems, for example, liquid HCl and DCl, cyanide ion in aqueous solution, HOD solvated in D2O via classical molecular dynamics simulations and the linearized semiclassical method. • Investigated solvent effects on the single bond cZt-tZt isomerization rate constant of 1,3,5-cishexatriene in alkane and alcohol solvents using classical molecular dynamics simulations, in collaboration with the experimental group of Prof. R. Sension. University of Michigan, Research Rotations, Chemistry Department Rotation research student under Dr. Barry Dunietz (Fall 2009) and Dr. Eitan Geva (Winter 2010) • Studied coherent transport using Ni complex and Gold electrodes using QChem. • Studied isomerization reaction dynamics in hexatriene derivatives using classical molecular dynamics simulations. Indian Institute of Technology Delhi, New Delhi, India, Fall 2007-Summer 2008 Masters thesis research under Prof. Charusita Chakravarty, Department of Chemistry • Studied the melting of Lennard-Jones solids using Metropolis Monte Carlo Methods • Investigated the finite size effects on the simulation studies of Lennard-Jones solids. • Studied the solid-liquid phase equilibria of liquids with water-like anomalies using Metropolis Monte Carlo methods Indian Association for Cultivation of Science, Jadavpur, Kolkata, India, Summer 2007 Summer Research under Prof. S. P. Bhattacharya, Physical Chemistry Department • Investigated the quantum dynamics of a model 4-level system in the presence of a time-dependent external Surma Talapatra [email protected] 734-276-0771 930 N. University Ann Arbor MI, 48109-1055, U.S.A. PUBLICATIONS • Surma Talapatra and Eitan Geva Linearized Semiclassical Theory Applied to the Study of Vibrational Energy Relaxation of Small Molecules in Condensed Phases In preparation • Surma Talapatra and Eitan Geva Quantum Effects on the Vibrational Lifetimes of Cyanide Ion in Aqueous Solution via Linearized Semiclassical Theory To be Submitted to J. Phys. Chem. B • Surma Talapatra and Eitan Geva Vibrational Lifetimes of Cyanide Ion in Aqueous Solution From Molecular Dynamics Simulations: Intermolecular vs. Intramolecular Accepting Modes Submitted to J. Phys. Chem. B • Francisco X. Vazquez, Surma Talapatra, Roseanne J. Sension and Eitan Geva The Entropic Origin of Solvent Effects on the Single Bond cZt-tZt Isomerization Rate Constant of 1,3,5-cis Hexatriene in Alkane and Alcohol Solvents: A Molecular Dynamics Study J. Phys. Chem. B, Article ASAP, DOI: 10.1021/jp5002644 Co-first author • Francisco X. Vazquez, Surma Talapatra and Eitan Geva Vibrational energy relaxation in liquid HCl and DCl via the linearized semiclassical method: Electrostriction vs. quantum delocalization J. Phys. Chem. A, 115 (35), 9775 (2011) • S. N. Chakraborty, S. Talapatra, C. Chakravarty Relationship Between Crystalline Order and Melting Mechanisms of Solid Indian Journal of Physics, 83, 65 (2009) CONTRIBUTED PRESENTATIONS • Cyber Infrastructure Days 2013, University of Michigan, Ann Arbor, MI Poster Presentation “Study of Condensed Phase Dynamics: Vibrational Energy Relaxation” S. Talapatra and E. Geva • American Chemical Society National Conference 2013, Indianapolis, IN Oral Presentation “Vibrational Energy Relaxation of Cyanide Ion in Aqueous Solution: Computational Study of Condensed Phase Dynamics” S. Talapatra and E. Geva • Vaughan Symposium 2013, University of Michigan, Ann Arbor, MI Poster Presentation “Vibrational Energy Relaxation of Cyanide Ion in Aqueous Solution” Surma Talapatra [email protected] 734-276-0771 930 N. University Ann Arbor MI, 48109-1055, U.S.A. • S. Talapatra and E. Geva Midwest Theoretical Chemistry Conference 2013, UIUC, IL Poster Presentation “Vibrational Energy Relaxation of Cyanide Ion in Aqueous Solution” S. Talapatra and E. Geva • Cyber Infrastructure Days 2012, University of Michigan, Ann Arbor, MI Poster Presentation “Study of Condensed Phase Dynamics: Vibrational Energy Relaxation” S. Talapatra and E. Geva • Vaughan Symposium 2012, University of Michigan, Ann Arbor, MI Poster Presentation “Vibrational Energy Relaxation of Cyanide Ion in Aqueous Solution” S. Talapatra and E. Geva • American Conference on Theoretical Chemistry 2011, Telluride Science Research Center, Telluride, CO Poster Presentation “Simulation of reactive and non-reactive rate processes in liquid solutions” S. Talapatra, F. X. Vazquez, Prof. E. Geva, Prof. R. Sension. • Vaughan Symposium 2011, University of Michigan, Ann Arbor, MI Poster Presentation “Simulation of reactive and non-reactive rate processes in liquid solutions” S. Talapatra, F. X. Vazquez, Prof. E. Geva, Prof. R. Sension. • Cyber Infrastructure Days 2010, University of Michigan, Ann Arbor, MI Poster Presentation “Solvent Effects on the Rate of Hexatriene Isomerization: A Molecular Dynamics Simulation Study” S. Talapatra and E. Geva • Vaughan Symposium 2010, University of Michigan, Ann Arbor, MI Poster Presentation "Solvent Effects on the rate of hexatriene isomerization: A Molecular Dynamics simulation," S. Talapatra, F. X. Vazquez, Prof. E. Geva, Prof. R. Sension. AWARDS AND SCHOLARSHIPS Vaughan Symposium 2013, University of Michigan • Best poster presentation in Physical Chemistry. Midwest Theoretical Chemistry Conference, 2013 • Outstanding poster presentation award. Chemistry Research Excellence Awards Fellowship, • University of Michigan, Winter 2012. Surma Talapatra [email protected] 734-276-0771 930 N. University Ann Arbor MI, 48109-1055, U.S.A. Telluride School on Theoretical Chemistry 2011 • Scholarship to attend TSTC summer school. Vaughan Symposium 2010, University of Michigan • Best poster presentation in Physical Chemistry. Joint Admission Test for Masters (JAM) • All India Rank 121 Council of Scientific and Industrial Research, India • Junior Research Fellowship. TEACHING EXPERIENCE I have been a graduate student instructor for the following courses: • Chemical Principles, Chem 260, Fall 2012 Introduction to the quantal nature of matter, basic chemical thermodynamics, and chemical kinetics. Description of the fundamental physical principles that underlie spectroscopic and electrochemical analysis. • Physical Chemistry I, Chem 461, Fall 2011 An introduction to quantum mechanics and its applications to chemistry. • Biophysical Chemistry I, Chem 453, Fall 2010 Rigorous mathematical theory of classical thermodynamics is developed, including applications to entropy, heat engines, solution properties, and phase and chemical equilibrium. Modern statistical thermodynamics, modern theories of fundamental reaction rates and enzyme kinetics and molecular transport theories is described and developed. • Investigations in Chemistry, Chem 211, Winter 2010 An introduction to laboratory techniques in chemistry using inorganic and organic compounds, with emphasis on thin layer chromatography, stoichiometry, acid-base chemistry, and microscale organic reactions. • General Chemistry Laboratory I, Chem 125, Fall 2009 Basic laboratory techniques and applications to simple chemical systems.
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