1. Postdoctoral Research Associate, Texas Tech University, Lubbock, United States of America (2019-2020)
2. FED-tWIN Fellow, Royal Belgian Institute for Space Aeronomy and Katholieke Universiteit Leuven, Belgium (2021)

Computational Quantum Chemistry, Chemical Reaction Dynamics, Quantum Trajectories

1. JRF and SRF From Council for Scientific and Industrial Research (CSIR), New Delhi, India.
2. Dean of Faculty Postdoctoral Fellowship from Weizmann Institute of Science, Rehovot, Israel.
3. FED-tWIN Fellowship from Royal Belgian Institute for Space Aeronomy and Katholieke Universiteit Leuven, Belgium.

1. M. Khatua, D. Chakraborty, P. K. Chattaraj, ‘Density Dynamics in Some Quantum Systems’ Int. J. Quantum Chem. 2013, 113, 1747 (published as a cover article).

2. D. Chakraborty, P. K. Chattaraj, ‘Quantum Equivalence of a Driven Triple-well Van der Pol Oscillator: A QTM Study’ Chem. Phys. 2014, 438, 7.

3. D. Chakraborty, P. K. Chattaraj, ‘Confinement induced binding in noble gas atoms within a BN-doped carbon nanotube’ Chem. Phys. Lett. 2015, 621, 29.

4. D. Chakraborty, P. K. Chattaraj, ‘In Quest of a Superhalogen Supported Covalent Bond Involving a Noble Gas Atom’ J. Phys. Chem. A 2015, 119, 3064.

5. D. Chakraborty, S. Kar, P. K. Chattaraj, ‘Orbital Free DFT versus Single Density Equation: A Perspective through Quantum Domain Behavior of a Classically Chaotic System’ Phys. Chem. Chem. Phys. 2015, 17, 31516 (NMQC Special issue).

6. D. Chakraborty, P. K. Chattaraj, ‘Interaction of BN- and BP- doped Graphene Nanoflakes with Some Representative Neutral Molecules and Anions’ Mol. Phys. 2015, 113, 2916 (Sourav Pal Festschrift Special issue).

7. D. Chakraborty, S. Pan, P. K. Chattaraj ‘Encapsulation of small gas molecules and rare gas atoms inside the octa acid cavitand’ Theor. Chem. Acc. 2016, 135, 119 (Alberto Vela Festschrift Special issue).

8. D. Chakraborty, P. K. Chattaraj ‘Optical Response and Gas Sequestration Properties of Metal Cluster Supported Graphene Nanoflakes’ Phys. Chem. Chem. Phys. 2016, 18, 18811.

9. D. Chakraborty, P. K. Chattaraj ‘Possible Sequestration of Polar Gas Molecules by Superhalogen Supported Aluminium Nitride Nanoflakes’ J. Mol. Model. 2016, 22, 271 (Henry Chermette Festschrift Special issue).

10. D. Chakraborty, P. K. Chattaraj ‘Sequestration and Activation of Small Gas Molecules on BN-Flakes and the Effect of Various Metal Oxide Molecules therein’ J. Phys. Chem. C 2016, 120, 27782.

11. D. Chakraborty, R. Das , P. K. Chattaraj ‘Does Confinement Always Lead to Thermodynamically and/or Kinetically Favorable Reactions ?: A Case Study using Diels-Alder Reactions within ExBox⁺⁴ and CB[7]’ ChemPhysChem 2017, 18, 2162 (published as a cover (front) article).

12. D. Chakraborty, R. Das, P. K. Chattaraj ‘Change in Optoelectronic Properties of ExBox⁺⁴ on Functionalization and Guest Encapsulation’ Phys. Chem. Chem. Phys. 2017, 19, 23373.

13. D. Chakraborty, P. K. Chattaraj ‘Effect of Functionalization of Boron Nitride Flakes by Main Group Metal Clusters on their Optoelectronic Properties’ J. Phys. Condens. Matter 2017, 29, 425201.

14. D. Chakraborty, P. K. Chattaraj ‘Reactions Involving Some Gas Molecules through Sequestration on Al₁₂Be Cluster: An Electron Density Based Study’ J. Comput. Chem. 2018, 39, 535.

15. D. Chakraborty, P. K. Chattaraj ‘Confinement Induced Thermodynamic and Kinetic Facilitation of Some Diels-Alder Reactions Inside a CB[7] Cavitand’ J. Comput. Chem. 2018, 39, 151.

16. D. Chakraborty, P. K. Chattaraj ‘Host-Guest Interactions between Octa Acid and Cations/Nucleobases’ J. Comput. Chem. 2018, 39, 161.

17. M. Ghara, D. Chakraborty , P. K. Chattaraj ‘Confinement Induced Catalytic Activity in a Diels-Alder Reaction; Comparison Among Various CB[n], n=6-8, Cavitands’ J. Mol. Model. 2018, 24, 228.  (ICSPPCB-2018 Conference Special Issue)                             

18. D. Chakraborty, P. K. Chattaraj ‘Bonding, Reactivity, and Dynamics in Confined Systems’ J. Phys. Chem. A 2019, 123, 4513. (Feature Article in the J. Phys. Chem.; Selected as an ACS editor’s choice article; published as a front cover article, Selected as Popular top-access article).

19. D. Chakraborty, H. Lischka, W. L. Hase ‘Chemical Dynamics Simulations on Association and Subsequent Dissociation of Pyrene Dimer’. J. Phys. Chem. A 2020, 124, 8907.

20. D. Chakraborty, P. K. Chattaraj ‘Conceptual density functional theory based electronic structure principles’ Chem. Sci., 2021,12, 6264. (Selected as among the Most popular 2021 physical and theoretical chemistry articles, 2021 in Chemical Science)

21. D. Chakraborty, W. L. Hase ‘Direct Dynamics Simulation of the Thermal O(3P) + Dimethylamine Reaction in the Triplet Surface. I. Rate Constant and Product Branching’. J. Phys. Org. Chem., 2022, DOI: 10.1002/POC.4339. “Density Functional Theory for Exploration of Chemical Reactivity: Successes and Limitations Special Issue”

22. D. Chakraborty, P. K. Chattaraj, ‘A Quantum-Classical Correspondence in the Dynamics around Higher Order Saddle Points : A Bohmian Perspective’ . Theor. Chem. Acc., 142, 18 , 2023.

23. N. Arepalli, S. 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, 2023, 28(16), 6169.

1. SERB-SRG project, Funded by SERB-DST, Government of India, (PI of this project) (Status: Ongoing)

1. ‘Chemical Reactivity in Confined Systems: Theory, Modelling and Applications’ John Wiley & Sons, Oxford, UK (ISBN: 978-1-119-68402-2). (Acted as Co-Editor)

Review Editor: Frontiers In Chemistry Journal