Birla Institute of Technology, Mesra

Faculty Image

Dr. Gaurab Ganguly

Joined Institute on : 1-Oct-2026

  • Ramanujan Fellow
  • Chemistry
  • Marie Sklodowska-Curie Postdoc (University of Vienna, Austria); Postdoc (IOCB Prague, Czechia); Postdoc (SUNY Buffalo, USA); Integrated M.Sc.-Ph.D. (IACS Kolkata); B.Sc. (Jadavpur University)
Contact Address

TH-205, BIT Mesra Campus, Mesra, Ranchi - 835215, Jharkhand, India.

Giridhari Road, PO - Palasi, Dist - North 24 Parganas, West Bengal, PIN - 743145, India

  • Phone Office - +918902192628
  • Phone Residence - +916289458315
  • Email - gaurab.ganguly@bitmesra.ac.in
Work Experience
Research : 15 Years

Professional Background

Dr. Gaurab Ganguly is an ANRF Ramanujan Fellow in the Department of Chemistry at Birla Institute of Technology (BIT) Mesra, Ranchi, and the department's first Ramanujan Fellow. He is a theoretical and computational chemist specialising in inorganic photochemistry and electronic-structure theory. His research develops predictive theoretical frameworks to understand how light, electron spin and relativistic effects govern the excited-state properties and photochemical reactivity of transition-metal complexes.

Before joining BIT Mesra, Dr. Ganguly held postdoctoral research positions at the University of Vienna, Austria; the Institute of Organic Chemistry and Biochemistry (IOCB), Czech Academy of Sciences, Prague; and the University at Buffalo, State University of New York, USA. In Vienna, he received a Marie Sklodowska-Curie Postdoctoral Fellowship under the European Union's Horizon Europe programme, with an evaluation score of 97%. He independently led research on molecular solar-thermal energy storage, combining advanced electronic-structure calculations with mechanistic analysis and predictive molecular design. He received his Ph.D. from the Indian Association for the Cultivation of Science (IACS), Kolkata, under the supervision of Prof. Ankan Paul.

Dr. Ganguly has authored more than 20 peer-reviewed research articles in leading international journals, including the Journal of the American Chemical Society, JACS Au, Angewandte Chemie International Edition, Inorganic Chemistry, and the Journal of Chemical Theory and Computation. His research spans fundamental theory and collaborative studies with experimental groups in spectroscopy and inorganic chemistry. He has also delivered invited research seminars at international institutions, including the University of Graz, Austria and the University of Manchester, UK.

At BIT Mesra, Dr. Ganguly is establishing an independent research programme at the interface of theoretical inorganic chemistry, excited-state photochemistry and sustainable energy science. He focuses on spin-dependent photochemical mechanisms, excited-state energy and electron transfer, and molecular solar-thermal energy storage. The overarching goal is to translate fundamental insights into transferable design principles for photoactive molecules, while advancing theory-experiment collaborations and training students in advanced electronic-structure methods and high-performance computational chemistry.

Research Areas

Theoretical Inorganic Photochemistry; Excited States and Spin-Orbit Coupling in Transition-Metal Complexes; Spin-Forbidden Photochemistry and Intersystem Crossing; Photoinduced Energy and Electron Transfer; Molecular Solar-Thermal (MOST) Energy Storage

Award and Honours

2026  ANRF Ramanujan Fellowship
      Anusandhan National Research Foundation (ANRF), Government of India
      Hosted at BIT Mesra, Ranchi (2026-2031)

2023  Marie Sklodowska-Curie Postdoctoral Fellowship 
      European Commission, Horizon Europe (Project DynaMOST)
      Hosted at the University of Vienna (2023-2026); evaluation score 97%

2015  International Travel Support (ITS)
      Science and Engineering Research Board, Government of India

2012  CSIR Junior and Senior Research (CSIR-JRF+SRF) Fellowship
      Council of Scientific and Industrial Research, Government of India
      Joint CSIR-UGC NET, All India Rank 25

2010  Post-B.Sc. Integrated Research (PBIR) Fellowship
      Department of Science and Technology (DST), Government of India
      Integrated PhD Programme, IACS Kolkata (2010-2012)

2007  INSPIRE SHE Scholarship for Higher Education
      Department of Science and Technology (DST), Government of India
      Top 1% in the Higher Secondary examination

Publications
  • G. Ganguly*, L. Gonzalez. Predictive Design of Fulvalene-Bridged Bimetallic Molecular Solar-Thermal Fuels. JACS Au 2026, 6(9). DOI: 10.1021/jacsau.6c00919 [Supplementary Cover]
  • G. Ganguly*, L. Gonzalez. Unraveling the Photoisomerization Mechanism of Group-8 Fulvalene-Bridged Bimetallic Complexes for Molecular Solar-Thermal Energy Storage. J. Am. Chem. Soc. 2025, 147, 41855-41866. DOI: 10.1021/jacs.5c14186
  • P. Lechner, G. Ganguly, M. J. Sahre, G. Kresse, J. C. B. Dietschreit, L. Gonzalez. Spin Frustration Determines the Stability and Reactivity of Metal-Organic Frameworks with Triangular Iron(III)-Oxo Clusters. Angew. Chem. Int. Ed. 2025, e202514014. DOI: 10.1002/anie.202514014
  • G. Ganguly*, Z. Havlas, J. Michl. Calculation of UV-vis Absorption of Parent Mg, Fe, Co, Ni, Cu, and Zn Metalloporphyrins. Inorg. Chem. 2024, 63, 10127-10142. DOI: 10.1021/acs.inorgchem.3c04460
  • G. Ganguly*, S. Pathak, A. Paul. Unraveling the Stability of Cyclobutadiene Complexes Using Aromaticity Markers. Phys. Chem. Chem. Phys. 2021, 23, 16005-16012. DOI: 10.1039/D1CP01467F
  • Y. Qiao#, G. Ganguly#, C. H. Booth, J. A. Branson, A. S. Ditter, D. J. Lussier, L. M. Moreau, D. R. Russo, D.-C. Sergentu, D. K. Shuh, et al. Enhanced 5f-delta Bonding in [U(C7H7)2]-: C K-edge XAS, Magnetism, and Ab Initio Calculations. Chem. Commun. 2021, 57, 9562-9565. DOI: 10.1039/D1CC03414F
  • D. J. Curran#, G. Ganguly#, Y. N. Heit, N. J. Wolford, S. G. Minasian, M. W. Loble, S. K. Cary, S. A. Kozimor, J. Autschbach, M. L. Neidig. Near-Infrared C-Term MCD Spectroscopy of Octahedral Uranium(V) Complexes. Dalton Trans. 2021, 50, 5483-5492. DOI: 10.1039/D1DT00513H
  • G. Ganguly, H. D. Ludowieg, J. Autschbach. Ab Initio Study of Vibronic and Magnetic 5f-to-5f and Dipole-Allowed 5f-to-6d and Charge-Transfer Transitions in [UX6]n- (X = Cl, Br; n = 1, 2). J. Chem. Theory Comput. 2020, 16, 5189-5202. DOI: 10.1021/acs.jctc.0c00386
  • G. Ganguly, D.-C. Sergentu, J. Autschbach. Ab Initio Analysis of Metal-Ligand Bonding in An(COT)2 with An = Th, U in Their Ground- and Core-Excited States. Chem. Eur. J. 2020, 26, 1776-1788. DOI: 10.1002/chem.201904166 [Frontispiece]
  • G. Ganguly, D. Halder, A. Banerjee, S. Basu, A. Paul. Exploring the Crucial Role of Solvation on the Viability of Sustainable Hydrogen Storage in BN-Fullerene: A Combined DFT and Ab Initio Molecular Dynamics Investigation. ACS Sustainable Chem. Eng. 2019, 7, 9808-9821. DOI: 10.1021/acssuschemeng.9b00211
  • V. E. Fleischauer#, G. Ganguly#, D. H. Woen, N. J. Wolford, W. J. Evans, J. Autschbach, M. L. Neidig. Insight into the Electronic Structure of Formal Lanthanide(II) Complexes Using Magnetic Circular Dichroism Spectroscopy. Organometallics 2019, 38, 3124-3131. DOI: 10.1021/acs.organomet.9b00315
  • R. Singh, G. Ganguly, S. O. Malinkin, S. Demeshko, F. Meyer, E. Nordlander, T. K. Paine. A Mononuclear Nonheme Iron(IV)-Oxo Complex of a Substituted N4Py Ligand: Effect of Ligand Field on Oxygen Atom Transfer and C-H Bond Cleavage Reactivity. Inorg. Chem. 2019, 58, 1862-1876. DOI: 10.1021/acs.inorgchem.8b02577
  • G. Ganguly, M. Sultana, A. Paul. Designing Efficient Solar-Thermal Fuels with [n.n](9,10)Anthracene Cyclophanes: A Theoretical Perspective. J. Phys. Chem. Lett. 2018, 9, 328-334. DOI: 10.1021/acs.jpclett.7b03170
  • G. Ganguly, M. Sultana, A. Paul. Photochemical Hydrogenation of CO2 to CH3OH and Pyridine to 1,2-Dihydropyridine Using Plasmon-Facilitated Chemisorbed Hydrogen on Au Surface: Theoretical Perspective. J. Phys. Chem. C 2017, 121, 15326-15332. DOI: 10.1021/acs.jpcc.7b03080
  • G. Ganguly, T. Malakar, A. Paul. In Pursuit of Sustainable Hydrogen Storage with Boron-Nitride Fullerene as the Storage Medium. ChemSusChem 2016, 9, 1386-1391. DOI: 10.1002/cssc.201600213
  • A. Banerjee#, G. Ganguly#, L. Roy, S. Pathak, A. Paul. A Serendipitous Rendezvous with a Four-Center Two-Electron Bonded Intermediate in the Aerial Oxidation of Hydrazine. Chem. Eur. J. 2016, 22, 1216-1222. DOI: 10.1002/chem.201503455 [Frontispiece]
  • S. Bhunya, T. Malakar, G. Ganguly, A. Paul. Combining Protons and Hydrides by Homogeneous Catalysis for Controlling the Release of Hydrogen from Ammonia-Borane: Present Status and Challenges. ACS Catal. 2016, 6, 7907-7934. DOI: 10.1021/acscatal.6b01704
  • A. Banerjee, D. Halder, G. Ganguly, A. Paul. Deciphering the Cryptic Role of a Catalytic Electron in a Photochemical Bond Dissociation Using Excited State Aromaticity Markers. Phys. Chem. Chem. Phys. 2016, 18, 25308-25314. DOI: 10.1039/C6CP03789E
  • G. Ganguly, T. Malakar, A. Paul. Theoretical Studies on the Mechanism of Homogeneous Catalytic Olefin Hydrogenation and Amine-Borane Dehydrogenation by a Versatile Boryl-Ligand-Based Cobalt Catalyst. ACS Catal. 2015, 5, 2754-2769. DOI: 10.1021/cs501359n
  • G. Ganguly, A. Sen, M. Mukherjee, A. Paul. SeD Radical as a Probe for the Measurement of the Time Variation of the Fine-Structure Constant alpha and Proton-to-Electron Mass Ratio mu. Phys. Rev. A 2014, 90, 012509. DOI: 10.1103/PhysRevA.90.012509
  • A. Banerjee, G. Ganguly, R. Tripathi, N. N. Nair, A. Paul. Unearthing the Mechanism of Prebiotic Nitrile Bond Reduction in Hydrogen Cyanide through a Curious Association of Two Molecular Radical Anions. Chem. Eur. J. 2014, 20, 6348-6357. DOI: 10.1002/chem.201304627

    * Corresponding author,   # Equal first authors
Current Sponsored Projects
  • ANRF Ramanujan Fellowship (2026-2031), PI Department of Chemistry, BIT Mesra | ANRF, Govt. of India | INR 1.19 crore (incl. fellowship) Project: "Engineering Near-Lossless Triplet Pathways in Molecular Solar-Thermal Fuels" (SoloTrip) Develops a predictive spin-kinetic framework for triplet-sensitized molecular solar-thermal (MOST) energy storage, combining multireference electronic structure, spin-vibronic kinetics and Dexter energy-transfer modelling to derive quantitative design rules for efficient visible-light MOST heat batteries.
  • Marie Sklodowska-Curie Postdoctoral Fellowship (2023-2026), Co-PI University of Vienna, Austria (with Prof. Leticia Gonzalez) | European Commission, Horizon Europe | EUR 199,000 | Evaluation score 97% Project: "Excited-State Dynamics of Molecular Solar-Thermal Fuels" (DynaMOST) Established how spin-orbit coupling and intersystem crossing control photoisomerization in fulvalene-bridged bimetallic MOST complexes, and introduced a multireference-based predictive screening strategy for new energy-storage candidates (JACS 2025; JACS Au 2026).