People
Get to know the talented individuals who make up the Molecular Simulations Laboratory team. Our diverse group includes students and postdoctoral fellows dedicated to advancing research in computational chemistry & physics and molecular simulations.
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Narendra Singh Yogi
BSc (Chem.), Hindu College, New Delhi
MSc (Chem.), Hindu College, DU
Ph. D. Student, Aug. 2025-
Computational Physical Chemistry
Subhom Ghosh
B.Sc(Physics), ABN Seal College, Coochbehar
Integrated Ph. D. Student, Aug. 2024-
Deep Learning and Generative Models for Material Science
Mansi Jain
MSc (Chem.), IISER Pune
Ph. D. Student, Aug. 2024-
Computational Physical Chemistry
Ananta Krushna Sahoo
MSc (Chem.), Utkal Univ., Bhubaneswar
Ph. D. Student, Aug. 2024-
Computational Physical Chemistry
Debendra Meher
MSc (Phys.), SNBNCBS, Kolkata
Ph. D. Student, Aug. 2023-
Machine-Learned Potentials to Model Materials
Computational Physical Chemistry
Sayantan Maity
MSc (Phys.), IISER, Kolkata
Ph. D. Student, Sep 2021-
Self-Assembly, Enhanced Sampling, Supramolecular Interactions
Computational Physical Chemistry
Megha
MSc (Chem.), IIT-Delhi
Research Associate, Jan. 2026-
Ph.D (Jan. 2021 - Dec. 2025)
Thesis Title: Decoding Chirality and Structure-Property Relationships in Supramolecular Polymers through Molecular Simulations
Computational Physical Chemistry