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Career Interest
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Academia, Theoretical Chemistry
Debashree Ghosh
Ph:
+1 607 342 1866SSC 425 +1 213 740 8268Department of Chemistry
Email:
debashree.ghosh[at]gmail[dot]comUniversity of Southern California
Website:
Los Angeles, CA 90089-0482USA
Education and degrees
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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 Hoffman, Gregory S. EzraThesis: Advances and Application of Static and Dynamic Correlation Methods in ab-initio QuantumChemistry
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Indian Institute of Science
Bangalore, India
M.S., Division of Chemical Sciences (CGPA: 7.0/8.0) Aug. 2002 - Jul. 2005
Advisor: S. Yashonath
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Presidency College (under University of Calcutta)
Kolkata, India
B.Sc.: Chemistry (major) (Grade: 77.5%) 1999-2002
–
University rank: 4
Professional Experience
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University of Southern California
Los Angeles, CA
Postdoctoral research associate with A. I. Krylov, Department of Chemistry Sep. 2009 -
Honors and Awards
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WISE Merit Award for Excellence in Postdoctoral Research 2011
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ACTC postdoctoral Fellowship 2011
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Burg Postdoctoral Teaching Award 2011
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Young investigator award in GRC (Radiation chemistry) 2010
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Best Poster award in WATOC 2008
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Cornell University graduate school travel grant 2008
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CSIR junior research fellowship 2005
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University 4th rank in Chemistry Hons., Calcutta University 2002
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JNCASR Summer research fellowship 2001
Publications
1.
Accurate calculation of ionization energy and redox potentials of phenol and phenolate in bulksolvation - An effective fragment potential study
D. Ghosh, A. I. Krylov (in prep)2.
A VUV photoionization and theoretical determination of the ionization energy of a gas phasesugar (deoxyribose)
D. Ghosh, A. Golan, L. Takahashi, A.I. Krylov, M. Ahmed (in prep)3.
What drives the redox properties of model green fluorescence 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 effect 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, 60286.
Non-covalent interactions in large systems described by the effective 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), 127397.
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 field
T. Yanai, Y. Kurashige, D. Ghosh, G. K.-L. Chan,
Int. J. Quant. Chem.
109 (10), 21789.
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), 19410710.
Orbital Optimization in the Density Matrix Renormalization Group, with applications topolyenes and beta-carotene
D. Ghosh, H. Hachmann, T. Yanai, G. K.-L. Chan,
J. Chem. Phys.
2008 ,128 (14),14411711.
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 diffusive to super-diffusive motion
S. Bhide, D. Ghosh, S. Yashonath, G. Ananthakrishna,
Current Science
, Volume 87, Number 7, 2004, 97113.
Diffusive and Super-diffusive Motion of sorbates in Carbon nanotubes
S. Bhide, D. Ghosh, S. Yashonath, G. Ananthakrishna, arXiv:cond-mat/0407723v1
Skills
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Programming Languages:
Expert in C/C++, Fortran 77/90/95, Python, iPython, Shell, L
A
TEX, parallelprogramming in C/C++ and Fortran and interfacing between different programming languages.Working knowledge in Matlab, Octave and LISP
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Operating Systems:
Linux (RedHat, Fedora 8, SuSe), Solaris, UNIX, MacOS X, Windows XP/Vista
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Applications:
Mathematica, MatLab, Octave, L
A
TEX, OpenOffice, MS Office Suite, Molekel, Arguslab,Babel, Molden, ChemDraw, PhotoShop, xmgrace, Origin, xfig, Beamer
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Running Packages:
Gaussian03, Molpro, Molcas, Dalton, Psi3, NWChem, UTChem,Subversion, Concurrentversion systems, Mercurial
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Programming in packages:
Q-Chem
, GAMESS, ORZ(a quantum chemistry program package specializedin canonical transformation), qc-dmrg (a quantum chemistry program package specialized in Density MatrixRenormalization Group), Psi3 (Methods of creating localized molecular orbitals), Molcas(interfacing DMRGwith CASPT2), Dalton (interfacing DMRG with NEVPT2)
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Quantum Chemistry:
Effective fragment potential and its applications and developments.Density Matrix Renormalization Group and its applications and developments. Application to light harvestingsystems and elucidating the mechanism of photosynthesis.
Conference presentations and university seminars
1. Redox potential of Green Fluorescent proteins: Effective Fragment potential studyAmerican Conference on Theoretical Chemistry 2011 (Poster)2. Redox potential of Green Fluorescent proteins: Effective Fragment potential studyInternational Symposium on Molecular Spectroscopy 2011 (Talk)3. The effect of solvation on vertical ionization energy of thymine: from microhydration to bulkPacifichem 2010 (Poster)4. Effective Fragment potential study of thymine in water: From microsolvation to bulkQuantum Systems in Chemistry and Physics XV, 2010 (Poster)5. Effective Fragment potential study of thymine in water: From microsolvation to bulkGordon Research Conference, Radiation chemistry 2010 (Poster)6. Effective Fragment potential study of thymine in water: From microsolvation to bulkMolecular Quantum Mechanics 2010 (Poster)7. Density Matrix Renormalization Group with 2nd order perturbation theoryRecent Advances in Many-Electron Theories 2010 (Talk)8. Effective Fragment potential: Theory and application to stacked nucleic acid bases
Q-Chem
workshop 2009 (Poster)9. Density Matrix Renormalization Group with 2nd order perturbation theoryWorld Association of Theoretical and Computational Chemists 2008 (Poster)10. Effects of strong correlation in polyenes and light harvesting complexesSummer 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 MethodAmerican Physical Society March Meeting 2007 (Talk)13. Motion of sorbates through channels and chaotic effectsUnit Day 2005, Solid State and Structural Chemistry Unit, Indian Institute of Science (Talk)14. Motion of sorbates through channels and chaotic effectsSTATPHYS22 2004 (Poster)
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