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An Autonomous Institution, Under the Ministry of Education, Government of India

Mousumi Das

Associate Professor
Dept: Chemical Sciences (DCS)
E-mail: mousumi [at]
Personal homepage: Click Here

Research Interest:

Calculation of excited states towards Opto-electronic properties in molecules to materials. Calculation of molecular conductivity in molecular electronics.

Academic Background:

  1. PhD (Thoretical Chemistry), IISc, Bangalore, 2006


  1. Associate Professor, IISER Kolkata ( - )
  2. Research Associate, University of Michigan (2005 - 2008)

Awards and Honors:

  1. Editorial Advisory Board Member from Scientific Reports: Nature Publishing Groups (2014)

Selected Publications:

  1. Sao, Soumik; Naskar, Sumit; Mukhopadhyay, Narottam; Das, Mousumi and Chaudhuri, Debangshu. 2018."Assisted ?-Stacking: a Strong Synergy between Weak Interactions ." ChemComm , 54, 12186
  2. Das, Mousumi. 2018."Low-Lying Excited States in Thiophene-Based Cyclic Molecule Suitable for Optoelectronics: A Density Matrix Renormalization Group Study ." ACS Omega, 3, 12253
  3. Naskar, Sumit and Das, Mousumi. 2017."Singlet and Triplet Excited State Energy Ordering in Cyclopenta-fused Polycyclic Aromatic Hydrocarbons (CP-PAHs) Suitable for Energy Harvesting: An Exact Nodel and TDDFT Study." ACS Omega, 2, 1795-1803
  4. Das, Mousumi. 2015."Computational Investigation on Tunable Optical Band Gap in Armchair Polyacenes." Journal of Chemical Physics, 143, 064704
  5. Das, Mousumi. 2014."Low-lying excited states in armchair polyacene within Pariser-Parr-Pople model : A density matrix renormalization group study." Journal of Chemical Physics, 140, 124317

All Publications: Click Here