Chemistry through Computation & Theory

Dr. Sukanta Mondal

Assistant Professor in Chemistry (Stage-II)

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

Contact Publications CV (PDF)
Dr. Sukanta Mondal

About Dr. Mondal

Academic journey and professional milestones

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) 2008.

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

DFT & AIMD Simulations

Density functional theory (DFT) and ab initio molecular dynamics (AIMD) to explore stability and reactivity of different molecular motiffs.

Anionic Redox

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

Clathrate Hydrates

Structure, bonding, reactivity, and dynamics of hydrogen hydrates and methane hydrates.

Aromaticity

Classical and nonclassical aromatic systems and aromaticity-driven phenomena.

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

Journal of Physical Chemistry Letters, ACS Applied Energy Materials, Journal of Molecular Graphics and Modelling, Journal of Molecular Modeling, Inorganica Chimica Acta., Theoretical Chemistry Account, Structural Chemistry, and others.

Fellow & Life Member

Indian Chemical Society (2019–)

Active contributor to the society's academic activities.

Selected Publications

Peer-reviewed articles and book chapters
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
42. Sukanta Mondal*, D. Chakraborty, P. K. Chattaraj, "β-D-glucopyranose–silver+ (1:1) complex assisted aromaticity involving electron deficient X3 (X = Be, Mg) core"
Inorganica Chim. Acta 2024, 122313
41. Sukanta Mondal, "β-D-Glucopyranose—silver+ (1:1) complex as a small gas molecule scavenger"
J. Comput. Chem. 45, 1434, 2024
40. N. Arepalli, Sukanta Mondal, D. Chakraborty, P. K. Chattaraj, "Impact of Static-Oriented Electric Fields on the Kinetics of Some Representative Suzuki–Miyaura and Metal-Cluster Mediated Reactions"
Molecules 28, 6169, 2023
39. Sukanta Mondal, P. K. Chattaraj, "Aromatic Clusters and Hydrogen Storage"
Energies 16 (6), 2833, 2023
37. Sukanta Mondal, "Structure, bonding, and interaction with molecular hydrogen of the β-D-glucopyranose―silver+ (1:1) complex"
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

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

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