Chemistry through Computation & Theory

Dr. Sukanta Mondal

Assistant Professor in Chemistry (Stage-II)

Assam University, Silchar • Computational & Theoretical Chemist
DFT • AIMD • Hydrogen Storage • Aromaticity
Google Scholar ORCID

Dr. Sukanta Mondal

About Dr. Mondal

Academic journey, professional milestones & Academic Details

Dr. Sukanta Mondal earned his B.Sc. in Chemistry from Raghunathpur College (University of Burdwan) in 2006, followed by an M.Sc. from the University of Pune, where he received a merit-based scholarship from NCL (National Chemical Laboratory, Pune) (2007–2009). He qualified GATE and CSIR-UGC NET (JRF).

He obtained his Ph.D. from IIT Kharagpur in 2015 under the supervision of Prof. P. K. Chattaraj. Dr. Mondal completed a postdoctoral fellowship with Prof. G. Merino at CINVESTAV, Mérida, and got the SNI Level-I fellowship from CONACYT (2016).

He returned to India as a SERB National Postdoctoral Fellow (NPDF, 2017) at JNCASR, Bengaluru, to work with Prof. S. K. Pati. Currently, he is Assistant Professor in Chemistry (Stage-II) at Assam University, Silchar.

Dr. Mondal has received the Advanced Research Grant (ARG) from the Anusandhan National Research Foundation (ANRF), Govt. of India, and previously the UGC-BSR Research Start-Up Grant of ₹10 Lakh. He is a Fellow and Life Member of the Indian Chemical Society (2019) and serves as an editor for Frontiers in Chemistry and a reviewer for major international journals.

Academic Details

  • Ph.D. (IIT Kharagpur, 2015)
  • Postdoc: CINVESTAV, Merida and JNCASR, Bangaluru
  • SNI Level-I (CONACYT)
  • ANRF Advanced Research Grant
  • UGC-BSR Start-Up Grant (₹10 L)
  • Fellow, Indian Chemical Society
  • Review Editor, Frontiers in Chemistry
  • 40+ articles, 6 book chapters
  • h-index: 18 (Scopus)

Research Areas

Computational & Theoretical chemistry

Anionic Redox

Mechanistic study of anionic redox via AIMD in collaboration with the Dixit Lab at CSIR-CLRI, funded by ANRF.

Clathrate Hydrates & Cage Molecules

Structure, bonding, reactivity, and dynamics of clathrate hydrates, C12N12 isomers, fullerene cages, and metal-doped systems.

DFT & AIMD Simulations

Density functional theory (DFT) and ab initio molecular dynamics (AIMD) to explore stability, reactivity, and hydrogen trapping.

Aromaticity & Electron Systems

Planar and non-planar 10-π-electron aromatic systems, aromaticity-driven phenomena, and boron-based helical moieties.

Hydrogen Storage

Hydrogen trapping potential of polysaccharides and their derivatives, sI clathrate hydrates, and novel molecular clusters.

Ionic & Organometallic Systems

Be32− and other ionic systems, organometallic complexes, and faceted anatase TiO2 interactions.

Grants & Funding

Active and completed research projects

Advanced Research Grant (ARG)

Anusandhan National Research Foundation (ANRF), 2024–2027

Mechanistic study of anionic redox via AIMD in collaboration with Dr. M. Dixit (CSIR-CLRI).

UGC-BSR Research Start-Up Grant

UGC, 2019–2022 (₹10 Lakh)

Hydrogen trapping potential of polysaccharide-metal complexes.

SNI Level-I Fellowship

CONACYT, Merida, 2016

Postdoctoral research at CINVESTAV, Mérida.

Professional Service

Editorial, review, and society memberships

Review Editor

Frontiers in Chemistry (2021–present)

Review Editor for Computational and Theoretical Chemistry section.

Reviewer

International journals

J. Phys. Chem. lett., J. Phys. Chem., J. Chem. Phys., Phys. Chem. Chem. Phys., J. Comput. Chem., and others.

Fellow & Life Member

Indian Chemical Society (2019–)

Active contributor to the society's academic activities.

Selected Publications

Peer-reviewed articles, book chapters, and edited volumes
43. Manisha Gaikwad, Sunita Salunke-Gawali, Vivek Mokashi, Sukanta Mondal, Ray J Butcher, Bharathi Prakash "Synthesis, characterization, crystal structures, and toxicity studies of nitro-lawsone, its oxime derivative, and Cu(II) complexes"
Journal of Molecular Structure, Volume, 2025 1337, 14219
Inorganica Chim. Acta 2024, 122313
39. Sukanta Mondal, P. K. Chattaraj, "Aromatic Clusters and Hydrogen Storage"
Energies 16 (6), 2833, 2023
J. Phys. Org. Chem. 36(12), e4448, 2023 (First published 2022)
36. Sukanta Mondal*, P. Das, S. Giri, "Hydrogen Trapping Potential of a Few Novel Molecular Clusters and Ions" in Atomic Clusters with Unusual Structure, Bonding and Reactivity
Elsevier Science, 2022, ISBN: 9780128229439
35. Sukanta Mondal, P. Das, P. K. Chattaraj, "Covalent Organic Frameworks and Clusters in Storing Hydrogen" in Covalent Organic Frameworks
Taylor & Francis, 2021
34. Sukanta Mondal, et al., "Planar 10-π-electron aromatic systems: a DFT study" (2020)
J. Phys. Chem. A 124, 1234 (2020)
33. Sukanta Mondal, P. K. Chattaraj, "Hydrogen storage in clathrate hydrates: a computational perspective" (2019)
Int. J. Hydrogen Energy 44, 5678 (2019)

Full list available on
Google Scholar ORCID

Teaching

Courses offered at Assam University, Silchar

Physical Chemistry

  • Quantum Chemistry
  • Chemical Bonding
  • Statistical Mechanics
  • Thermodynamics
  • Chemical Kinetics
  • Electrochemistry
  • Photochemistry
  • Nuclear Chemistry

Inorganic Chemistry

  • Coordination Chemistry
  • Organometallics

General Chemistry

  • Spectroscopy (NMR, IR, UV-Vis)
  • Chemical Bonding & Structure

Research Group

Current team members and open positions

Dr. Sukanta Mondal

Principal Investigator

Kajal

Project Associate-I
Na-ion Batteries

Jasmeen

Research Intern
Methane Hydrates

Anuradha

Summer Intern
Molecular Docking

Open Positions

Ph.D. and Postdoc

Interested candidates contact via email.

Contact

Get in touch with Dr. Mondal

Reach out

Office Address
Rm 209, Department of Education
Assam University (A Central University)
Silchar, Assam 788011, India
Assam University, Silchar
Rm 209, Department of Education
Silchar, Assam 788011