Career Interest - Academia, Theoretical Chemistry Debashree Ghosh

SSC 425 Department of Chemistry University of Southern California Los Angeles, CA 90089-0482 USA Ph: +1 607 342 1866 +1 213 740 8268 Email: debashree.ghosh[at]gmail[dot]com Website: http://boxofpandora.com

Education and degrees

Cornell University Ithaca, NY M.S., Chemistry and Chemical Biology (Grade: 3.54/4.0) Aug. 2005 - Dec. 2007 Ph.D., Chemistry and Chemical Biology Sept 2009 Advisor: Garnet K.-L. Chan; Committee members: Roald Homan, Gregory S. Ezra Thesis: Advances and Application of Static and Dynamic Correlation Methods in ab-initio Quantum Chemistry Indian Institute of Science M.S., Division of Chemical Sciences (CGPA: 7.0/8.0) Advisor: S. Yashonath Presidency College (under University of Calcutta) B.Sc.: Chemistry (major) (Grade: 77.5%) University rank: 4 Bangalore, India Aug. 2002 - Jul. 2005 Kolkata, India 1999-2002

Professional Experience
University of Southern California Los Angeles, CA Postdoctoral research associate with A. I. Krylov, Department of Chemistry Sep. 2009 -

Honors and Awards

WISE Merit Award for Excellence in Postdoctoral Research 2011 ACTC postdoctoral Fellowship 2011 Burg Postdoctoral Teaching Award 2011 Young investigator award in GRC (Radiation chemistry) 2010 Best Poster award in WATOC 2008 Cornell University graduate school travel grant 2008 CSIR junior research fellowship 2005 University 4th rank in Chemistry Hons., Calcutta University 2002 JNCASR Summer research fellowship 2001

Publications
1. Accurate calculation of ionization energy and redox potentials of phenol and phenolate in bulk solvation - An eective fragment potential study D. Ghosh, A. I. Krylov (in prep) 2. A VUV photoionization and theoretical determination of the ionization energy of a gas phase sugar (deoxyribose) D. Ghosh, A. Golan, L. Takahashi, A.I. Krylov, M. Ahmed (in prep) 3. What drives the redox properties of model green uorescence protein chromophores? K. Solntsev, D. Ghosh, A. Amador, M. Josowicz, A.I. Krylov, (submitted) 4. Can modern Density functional theory (DFT) describe vertical ionization of thymine in water? O. Isayev, D. Ghosh, C. Crespo-Hernandez, A.I. Krylov, (in prep) 5. The eect of solvation on vertical ionization energy of thymine: from microhydration to bulk D. Ghosh, O. Isayev, A.I. Krylov, J. Phys. Chem. A 2011, 115, 6028 6. Non-covalent interactions in large systems described by the eective fragment potential method D. Ghosh, D. Kosenkov, V. Vanovschi, C. Williams, J. Herbert, M. Gordon, M. Schmidt, L. Slipchenko, A.I. Krylov, J Phys. Chem. A 2010, 114 (48), 12739 7. Canonical Transformation theory: Application to conjugated polyenes D. Ghosh, E. Neuscamman, T. Yanai, G. K.-L. Chan, (in prep) 8. Accelerating convergence in iterative solution for large complete active space self-consistent eld T. Yanai, Y. Kurashige, D. Ghosh, G. K.-L. Chan, Int. J. Quant. Chem. 109 (10), 2178 9. A study of cumulant approximations to n-electron valence multireference perturbation theory D. Zgid, D. Ghosh, E. Neuscamman, G. K.-L. Chan, J. Chem. Phys. 2009, 130 (19), 194107 10. Orbital Optimization in the Density Matrix Renormalization Group, with applications to polyenes and beta-carotene D. Ghosh, H. Hachmann, T. Yanai, G. K.-L. Chan, J. Chem. Phys. 2008 ,128 (14),144117 11. An Introduction to the Density Matrix Renormalization Group Ansatz in Quantum Chemistry G. K.-L. Chan, J. J. Dorando, D. Ghosh, J. Hachmann, E. Neuscamman, H. Wang and T. Yanai, Prog. Theor. Chem. and Phys., 18, 49 (2008) 12. Sorbates in Carbon Nanotubes: Transition from diusive to super-diusive motion S. Bhide, D. Ghosh, S. Yashonath, G. Ananthakrishna, Current Science, Volume 87, Number 7, 2004, 971 13. Diusive and Super-diusive Motion of sorbates in Carbon nanotubes S. Bhide, D. Ghosh, S. Yashonath, G. Ananthakrishna, arXiv:cond-mat/0407723v1

Skills
A Programming Languages: Expert in C/C++, Fortran 77/90/95, Python, iPython, Shell, L TEX, parallel programming in C/C++ and Fortran and interfacing between dierent programming languages. Working knowledge in Matlab, Octave and LISP

Operating Systems: Linux (RedHat, Fedora 8, SuSe), Solaris, UNIX, MacOS X, Windows XP/Vista

A Applications: Mathematica, MatLab, Octave, L TEX, OpenOce, MS Oce Suite, Molekel, Arguslab, Babel, Molden, ChemDraw, PhotoShop, xmgrace, Origin, xg, Beamer

Running Packages: Gaussian03, Molpro, Molcas, Dalton, Psi3, NWChem, UTChem,Subversion, Concurrent version systems, Mercurial Programming in packages: Q-Chem, GAMESS, ORZ(a quantum chemistry program package specialized in canonical transformation), qc-dmrg (a quantum chemistry program package specialized in Density Matrix Renormalization Group), Psi3 (Methods of creating localized molecular orbitals), Molcas(interfacing DMRG with CASPT2), Dalton (interfacing DMRG with NEVPT2) Quantum Chemistry: Eective fragment potential and its applications and developments. Density Matrix Renormalization Group and its applications and developments. Application to light harvesting systems and elucidating the mechanism of photosynthesis.

Conference presentations and university seminars

1. Redox potential of Green Fluorescent proteins: Eective Fragment potential study American Conference on Theoretical Chemistry 2011 (Poster) 2. Redox potential of Green Fluorescent proteins: Eective Fragment potential study International Symposium on Molecular Spectroscopy 2011 (Talk) 3. The eect of solvation on vertical ionization energy of thymine: from microhydration to bulk Pacichem 2010 (Poster) 4. Eective Fragment potential study of thymine in water: From microsolvation to bulk Quantum Systems in Chemistry and Physics XV, 2010 (Poster) 5. Eective Fragment potential study of thymine in water: From microsolvation to bulk Gordon Research Conference, Radiation chemistry 2010 (Poster) 6. Eective Fragment potential study of thymine in water: From microsolvation to bulk Molecular Quantum Mechanics 2010 (Poster) 7. Density Matrix Renormalization Group with 2nd order perturbation theory Recent Advances in Many-Electron Theories 2010 (Talk) 8. Eective Fragment potential: Theory and application to stacked nucleic acid bases Q-Chem workshop 2009 (Poster) 9. Density Matrix Renormalization Group with 2nd order perturbation theory World Association of Theoretical and Computational Chemists 2008 (Poster) 10. Eects of strong correlation in polyenes and light harvesting complexes Summer graduate seminar 2008, Chemistry and Chemical Biology, Cornell University (Talk) 11. Ab-initio Density Matrix Renormalization Group with Orbital Optimization. Symposium on Advanced Methods of Quantum Chemistry and Physics 2007 (Poster) 12. Quadratic Scaling Local Canonical Transformation Method American Physical Society March Meeting 2007 (Talk) 13. Motion of sorbates through channels and chaotic eects Unit Day 2005, Solid State and Structural Chemistry Unit, Indian Institute of Science (Talk) 14. Motion of sorbates through channels and chaotic eects STATPHYS22 2004 (Poster)

Teaching experience
1. Teaching assistant for 4 semesters in Chemistry and Chemical Biology, Cornell University: General Chemistry for Engineers, Physical Chemistry I and II. 2. Team teaching Chem 115, Spring 2011 in Department of Chemistry, University of Southern California. 3. Grading: Graduate quantum mechanics I, Graduate Mathematical Methods. 4. Classes: Teaching C++ class, Hartree Fock and few quantum chemical methods in Chan group.

Synergistic activities
1. Attended Summer School in Indian Association for the Cultivation of Science in 1999 2. Wrote a tutorial on Molecular Dynamics Simulation for college students 3. Participated in translation of anthology of poems by Joy Goswami with a preface by Prof. R. Homann 4. Lecture on Quantum Computation and Quantum Gates in graduate students journal club in Chemistry and Chemical Biology, Cornell University 5. Participated in CCMR Outreach Program teaching elementary school students 6. Participated in CCMR Outreach Program working in development of experiments with middle school teachers 7. Volunteered for Asha Cornell events 8. Attended COACH workshop - Powerful Postdocs: Maximizing your Opportunities in that First Academic Job

Professional memberships
1. American Physical Society in 2007-2008. 2. American Chemical Society in 2009-2010.