Research Interest:

Methods:

  • Multireference methods such as DMRG
  • Hybrid QM/MM methods
  • Effective fragment potential
  • Equation of motion coupled cluster

Development:

  • Effective fragment potential for proteins
  • Implementation of electronic structure methods in GPU
  • Multi-reference DFT

Systems:

  • Photosynthetic reaction centers
  • Biochromophores such as GFP
  • Melanin
  • Theoretical Spectroscopy
  • Intercalation compounds

Professional Experience

  • June 2017 - Current - Associate Professor, Indian Association for the Cultivation of Science, Kolkata
  • 2017-2018 - Visiting Scientist (Humboldt Experienced Researcher), LMU Munich
  • 2012- June 2017- Senior Scientist, CSIR-National Chemical Laboratory, Pune, India
  • 2009-2012 Post Doctoral Research Fellow (with Prof. Anna I. Krylov, University of Southern California, Los Angeles, CA 90089)
  • 2005-2009 Ph.D Student (with Prof.Garnet Chan, Cornell University, Ithaca, NY 14853)

Selected Publications

  • D. Ghosh, Perturbative approximation to hybrid equation of motion coupled cluster / effective fragment potential method, J. Chem. Phys. , 140, 094101 (2014).
  • D. Ghosh , A. Roy, R. Seidel, B. Winter, S. Bradforth, A. I. Krylov, First-Principle Protocol for Calculating Ionization Energies and Redox Potentials of Solvated Molecules and Ions: Theory and Application to Aqueous Phenol and Phenolate, J. Phys. Chem. B, 116, 7269 (2012).
  • D. Ghosh, A. Golan, L. Takahashi, A. I. Krylov, M. Ahmed, A VUV Photoionization and Theoretical Determination of the Ionization Energy of a Gas Phase Sugar (Deoxyribose), J. Phys. Chem. Lett., 3, 97 (2012).
  • D. Ghosh, D. Kosenkov, V. Vanovschi, C. F. Williams, J. M. Herbert, M. S. Gordon, M. W. Schmidt, L. V. Slipchenko, A. I. Krylov, Non-covalent Interactions in Large Systems Described by the Effective Fragment Potential Method, J. Phys. Chem. A, 114, 12739 (2010)
  • D. Zgid, D. Ghosh, E. Neuscamman, G. K.-L. Chan, A Study of Cumulant Approximations to N-electron Valence Multireference Perturbation Theory, J. Chem. Phys., 130, 194107 (2009)
  • D. Ghosh, J. Hachmann, T. Yanai, G. K.-L. Chan, Orbital Optimization in the Density Matrix Renormalization Group, with Applications to Polyenes and beta-carotene, J. Chem. Phys., 128, 144117 (2008).