CV

Experience

• Postdoctoral Researcher
  • Heidelberg University, Germany: Aug 2018 - Present
    • Developed novel quantum dynamics approach to study non-adiabatic effects without potential energy surfaces
    • Developed algorithms for compact representation of the electronic Hamiltonian that are more than two orders of magnitude efficient than the traditional approach
    • Performed ultrafast dynamical study of water, polyenes, and amino acid relevant to atto- and femto-second spectroscopy
    • Developed computational approach to distinguish the inverse ring-current state from the regular one, a crucial step in using ring-shaped molecules as switching units
  • Aarhus University, Denmark: October 2017 - July 2018
    • Developed methods for modeling ultrafast processes in Fermonic 1D and 2D lattice
    • Implemented sparse matrix-vector multiplication in the MCTDH package
• Research Associate
  • IACS, India: April 2017 - September 2017
    • Developed a multi-reference theory to describe the potential energy crossing region
    • Implemented Fortran code to study bond dissociation in a numerically stable, spin-preserving, and size-consistent manner
• Doctoral Research
  • National Chemical Laboratory, India: August 2012 - June 2017
    • Implemented relativistic coupled-cluster methods for energy and property calculation
    • Identified HgH, RaF, and PbF molecules as next-generation eEDM experiment
    • Precisely calculated single and double ionization potential of atoms and molecules and benchmarked them with the NIST database

Education

• B.Sc. in Chemistry, Jadavpur University, India, August 2012 - June 2017
• M.Sc. in Chemistry, Indian Institute of Technology Madras, India, Sept 2010 - April 2012
• Ph.D in Theoretical Chemistry, National Chemical Laboratory, India, August 2012 - June 2017

Skills

• Programming
  • Python, Fortran, C++, Matlab
• Algorithm
  • CASSCF, CASPT, RASCI, Coupled-cluster, EOMCC
  • MCTDH, MC-CPD, POTFIT
• Tools
  • Numpy, Pandas, SQL, Matplotlib, TensorFlow, Jupyter, Qiskit
  • DIRAC, GAMESS, PSI4, PySCF, Gaussian, Molpro, Molcas
• Others
  • HPC, OpenMP, MPI, Git, SVN, Latex
• Communication
  • Presentations to specialist audiences and groups with diverse backgrounds
  • Grant proposal and report writing
• Personal
  • Goal-oriented quantitative mindset
  • Strong analytical thinking
  • Team player with diverse and multi-cultural work groups
  • Mentoring PhD, Masters, and Bachelors students
• Organization
  • Co-organized conferences and summer school
  • Convener of Joint Theoretical Seminar (Heidelberg group)
  • Chaired sessions in international conferences

Language

• English (native)
• German (B1)
• Bengali (mother tongue)
• Hindi (speaking)