Card image cap
Dr. Md. Mehboob Alam
Ph.D. University of Calcutta
Assistant Professor, IIT Bhilai
Department of Chemistry

Areas of Interest

  • Theoretical study of different non-linear optical processes in different materials
    and to develop theoretical protocols for understanding an in-depth mechanism of such processes.
  • Metaheuristic optimization techniques
  • Study of reaction mechanism
  • Development of quantum chemistry code for doing electronic structure calculations.


  • PhD (Theoretical and computational chemistry), University of Calcutta
  • MSc, University of Calcutta
  • BSc, Rishi Bankim Chandra College, University of Calcutta


  • Quantum Chemistry
  • Statistical Mechanics and Thermodynamics
  • Physical Chemistry Practical
  • Material Chemistry III
  • Computational Physics
  • Computation in Chemistry
  • Molecular Spectroscopy
  • Chemistry Lab

Professional Experiences:

  • December 2018 onwards: Assistant Professor, Department of Chemistry, Indian Institute of Technology Bhilai, Raipur, India
  • November 2016 to November 2018: Post-doc researcher with Prof. Dr. Kenneth Ruud at Department of Chemistry, UiT The Arctic University of Norway
  • September 2014 to August 2016: Post-doc researcher with Dr. Emmanuel Fromager at Laboratoire de Chimie Quantique, Strasbourg France

Awards and Honours

  • Humboldt Postdoctoral Fellow Jan. 2021 - Dec. 2021
  • "Seal of Excellence" from the European Commission for the propoposal submitted for Marie Sklodowska Curie Fellowship
  • Junior (2009-2011) and Senior (2011-2014) research fellowship from CSIR-INDIA
  • Dr. Sushil Kumar Mukherjee Endowment Prize: 2006 (For best performance in Graduation in College)
  • Vijay Dudeja Memorial Scholarship: 2000
  • The Telegraph School Award for Excellence: 2000 from The Telegraph Newspaper

Selected list of Publications

  • S. S. Rajput, and M. M. Alam*, "Designing a Propellane-Based Nonlinear Optically Active System Absorbing in Three Different Wavelength Regions" (2022, ChemPhysChem, DOI:
  • S. G. Neogi and M. M. Alam*, "Structure, carbonyl vibrational frequencies, and local energy decomposition of binding energy in formaldehyde clusters, (HCHO)n=1-10­ J. Phys. Chem. A, 2022 DOI: 10.1021/acs.jpca.1c08789
  • M. Choluj, R. Behera, E. Petrusevich, W. Bartkowiak, M. M.Alam*, R. Zaleśny*, "Much of a Muchness: On the Origins of Two- and Three-Photon Absorption Activity of Dipolar Y-Shaped Chromophores", J. Phys. Chem. A, 2022, DOI: 10.1021/acs.jpca.1c10098
  • M. Chołuj, M. M. Alam*, M. T. P. Beerepoot, S. Sitkiewicz, E. Matito, K. Ruud*, and R. Zaleśny*, "Choosing Bad Versus Worse: Predictions of Two-Photon Absorption Strengths Based on Popular Density Functional Approximations, J. Chem. Theory Comput. 2022, DOI: 10.1021/acs.jctc.1c01056
  • P. Das, S. S. Rajput, M. Das, S. Laha, I. Choudhuri, N. Bhattacharyya, A. Das, B. C. Samanta, M. M. Alam*, T. Maity*, Easy, Selective and Colorimetric Detection of Zn(II), Cu(II), F- Via off-on Fluorescence Technique with a New Piperazine Based Schiff Base Ligand: Molecular Logic Gate Formation and Life Cell Images. J. Photochem. Photobiol. A: Chem.2022, 427, 113817, DOI: 10.1016/j.jphotochem.2022.113817
  • Bartosz Krajewski, S. S. Rajput, Marta Chołuj, Elżbieta Wojaczyńska, Andrzej Miniewicz, M. M. Alam*, Robert Zaleśny*, First-order hyperpolarizabilities of propellanes: Elucidating structure-property relationships. Phys. Chem. Chem. Phys., 2022,24, 13534-13541(
  • D. Kumar, S. Dolui, S. A. Mohammad, M. M. Alam, S. Banerjee*, "Ultrafast and Green Ionic Liquid-Mediated Controlled Cationic Polymerization Towards Amphiphilic Diblock Copolymers" Poly. Chem. 2022, 13, 517, DOI:
  • S. Haldar and M. M. Alam*, Designing curcumin based non-linear optically active compounds Mol. Phys. 2021, 119, e1876265, DOI: 10.1080/00268976.2021.1876265
  • E. F. Petrusevich, B. Osmiałowski, R. Zaleśny*, and M. M. Alam*, Two-Photon Absorption Activity of BOPHY Derivatives: Insights from Theory J. Phys. Chem. A 2021, 125, 2581, DOI: 10.1021/acs.jpca.1c00756
  • S. G. Stephen, A. S. John, M. M. Alam*, "Theoretical study of linear and non-linear optical activity in dithienylethene-based photo-switch and its derivatives" Chem. Phys. Lett. 2021, 780, 138892 DOI: 10.1016/j.cplett.2021.138892
  • K. Nano, G. Zahariou, P.-C. Ioannou, M. M. Alam, D. A. Pantazis, C. P. Raptopoulou, V. Psycharis*, Y. Sanakis*, P. Kyritsis*, "Electronic properties of the S = 5/2 Mn(II) complexes [Mn{PhC(O)NP(O)PPh2}(N,N)(NO3)], (N,N) = phenanthroline, neocuproine, 2,2'-bipyridine" (Accepted) Polyhedron 2021, 207, 115374, DOI:
  • S. A. Mohammad, S. Dolui, D. Kumar, M. M. Alam, S. Banerjee*, "Anisotropic and Self-healing Copolymer with Multi-responsive Capability" Macromol. Rapid Commun. 2021, 42, 2100096, DOI: 10.1002/marc.202100096
  • S. A. Mohammad, D. Kumar, M. M. Alam, S. Banerjee*, "Ultrafast, Green and Recyclable PhotoRDRP Towards Multi-stimuli Responsive Amphiphilic Copolymers" Poly. Chem. 2021, 12, 4954, DOI:

Message From Director

I am pleased to extend my greetings to students and their parents as well as colleagues near and far. IIT Bhilai was established on 7 August 2016. We are located in Chhattisgarh, the rice bowl of India, in a state rich in natural resources as well as cultural memory and heritage. Read More


Subscribe to our Newsletter and stay tuned.