M.Sc (2001) : Physical Chemistry, Visva Bharati University, INDIA
Ph.D (2007) : Theoretical Chemistry, University of Hyderabad, INDIA
Professional Experience:
Oct 2007 - Sept 2008: Royal Society Postdoctoral Fellow, University of Durham University, UK
Mar 2009 - Feb 2012: Postdoctoral Research Associate, University of Connecticut, Storrs, USA
Understanding structure and reactivity through DFT and MD Simulations
Theoretical Investigation of hydrocarbon molecules having Astrochemical Interest
Low-temperature Chemical reaction dynamics
Software development (Global Optimizer code suitable for HPC cluster/supercomputer environment)
**PhD position available for motivated candidates
Title | Investigator | Co-investigator | Sponsered Agency | Duration | Status |
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5-YEAR INTEGRATED M.Sc. IN CHEMISTRY
M.Sc in Chemistry
Laboratory
B.Tech
5-YEAR INTEGRATED M.Sc. IN CHEMISTRY
M.Sc in Chemistry
Sl.No. | Title | Name of the PI | Name of the CoPIs | Funding Agency | Amount (Rs.) | Project Type | Project Status | Date of Initiation | Date of Completion |
---|---|---|---|---|---|---|---|---|---|
1 | 'Molecular Modelling and Spectral Simulation to understand the inter- and intra-molecular interactions in solid state' | Dr. Subhas Ghosal | NA | Dr. Reddy's Lab, Hyderabad | Consultancy | Completed | 2022-06-01 | 2023-06-01 | |
2 | Structure elucidation of simple hydrocarbons through Global Optimization using Density Functional Theory and post HF methods | Dr. Subhas Ghosal | Dr. Anoop Ayyappan (IIT Kharagpur) | DST under National Supercomputing Mission | 2,552,000 | Sponsored | Completed | 2021-03-03 | 2023-03-31 |
3 | Ultracold chemistry of molecular ions | Subhas Ghosal | - | SERB (2018) | 2,200,000 | Sponsored | Completed | 2019-03-31 | 2022-03-31 |
4 | To explore the new physics on magnetic interaction for the application in quantum technology | Dr. Biplab Goswami | Dr. Subhas Ghosal | TEQIP III | 300,000 | Sponsored | Completed | 2019-03-01 | 2020-03-01 |
5 | Atomistic simulation of crack growth design of amorphous silica using molecular dynamics | Dr. Gaurav Singh (IIT Delhi) | Subhas Ghosal | ISRO (2017) | 1,650,000 | Sponsored | Completed | 2017-04-01 | 2019-12-31 |
6 | Radiative association of ultracold ions and its coherent control | Subhas Ghosal | Prof. Dr. Christiane Koch, University of Kassel, Germany | INSA-DFG | 600,000 | Sponsored | Completed | 2013-05-01 | 2013-07-31 |
7 | Ultracold chemistry in the early universe | Subhas Ghosal | - | SERB (Fast-Track) | 2,160,000 | Sponsored | Completed | 2012-03-10 | 2015-03-31 |
Sl.No. | Title | Name of the PI | Name of the CoPIs | Funding Agency | Amount (Rs.) | Project Type | Project Status | Date of Initiation | Date of Completion |
---|---|---|---|---|---|---|---|---|---|
1 | Structure elucidation of simple hydrocarbons through Global Optimization using Density Functional Theory and post HF methods | Dr. Subhas Ghosal | Dr. Anoop Ayyappan (IIT Kharagpur) | DST under National Supercomputing Mission | 2,552,000 | Sponsored | Completed | 2021-03-03 | 2023-03-31 |
2 | Ultracold chemistry of molecular ions | Subhas Ghosal | - | SERB (2018) | 2,200,000 | Sponsored | Completed | 2019-03-31 | 2022-03-31 |
3 | To explore the new physics on magnetic interaction for the application in quantum technology | Dr. Biplab Goswami | Dr. Subhas Ghosal | TEQIP III | 300,000 | Sponsored | Completed | 2019-03-01 | 2020-03-01 |
4 | Atomistic simulation of crack growth design of amorphous silica using molecular dynamics | Dr. Gaurav Singh (IIT Delhi) | Subhas Ghosal | ISRO (2017) | 1,650,000 | Sponsored | Completed | 2017-04-01 | 2019-12-31 |
5 | Radiative association of ultracold ions and its coherent control | Subhas Ghosal | Prof. Dr. Christiane Koch, University of Kassel, Germany | INSA-DFG | 600,000 | Sponsored | Completed | 2013-05-01 | 2013-07-31 |
6 | Ultracold chemistry in the early universe | Subhas Ghosal | - | SERB (Fast-Track) | 2,160,000 | Sponsored | Completed | 2012-03-10 | 2015-03-31 |
Sl.No. | Title | Name of the PI | Name of the CoPIs | Funding Agency | Amount (Rs.) | Project Type | Project Status | Date of Initiation | Date of Completion |
---|---|---|---|---|---|---|---|---|---|
1 | 'Molecular Modelling and Spectral Simulation to understand the inter- and intra-molecular interactions in solid state' | Dr. Subhas Ghosal | NA | Dr. Reddy's Lab, Hyderabad | Consultancy | Completed | 2022-06-01 | 2023-06-01 |
ID | Details | Year |
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2024 | 1. Electrochemical behavior of mild steel coated with long alkyl-chain benzothiazole derivatives in acid solution: Effect of aliphatic chain length Aditya Suhasaria, Rakhi Senapati, Pradeep Kumar Rout, Sirsendu Sengupta, Subhas Ghosal, Priyabrata Banerjee, Deboshree Mukherjee, Sukalpa Dey, Dipankar Sukul Colloids and Surfaces A: Physicochemical and Engineering Aspects 703, 135264 SCI https://doi.org/10.1016/j.colsurfa.2024.135264 Elsevier https://www.sciencedirect.com/science/article/pii/S0927775724021289 | 2024 |
2024 | 2. Theoretical investigation on the adsorption of phospho-tyrosine derivatives over fe (1 1 0) surface in 1M HCl medium Pradeep Kumar Rout, Tarun Roy, Deb Ranjan Banerjee, Utpal Adhikari, Dipankar Sukul, Subhas Ghosal Transactions of the Indian Institute of Metals 77, 1257–1263 SCOPUS https://doi.org/10.1007/s12666-023-03152-4 Springer https://link.springer.com/article/10.1007/s12666-023-03152-4 | 2024 |
2024 | 3. Energetic and Spectroscopic Properties of Astrophysically Relevant MgC4H Radicals Using High-Level Ab Initio Calculations Tarun Roy, Sayon Satpati, Aland Sinjari, Anakuthil Anoop, Venkatesan S. Thimmakondu*, Subhas Ghosal* The Journal of Physical Chemistry A 128, 8, 1466-1476 SCI https://doi.org/10.1021/acs.jpca.3c06828 ACS https://pubs.acs.org/doi/full/10.1021/acs.jpca.3c06828 | 2024 |
2023 | 4. Energetic and Spectroscopic Properties of the Low-Lying Isomers of C5H: A High-Level Ab Initio Study Sayon Satpati, Tarun Roy, Anakuthil Anoop, Venkatesan S. Thimmakondu, and Subhas Ghosal* Atoms 11(9), 115; SCOPUS https://doi.org/10.3390/atoms11090115 MDPI https://www.mdpi.com/2218-2004/11/9/115 | 2023 |
2023 | 5. Exploring the Chemical Space of C2H3NO Isomers and Bimolecular Reactions with Hydrogen Cyanide and Formaldehyde: Insights into the Emergence of Life Sunanda Panda, Ayusman Chiranjibi, Devesh Awasthi, Subhas Ghosal, and Anakuthil Anoop ACS Earth Space Chem. SCI/SCOPUS https://doi.org/10.1021/acsearthspacechem.3c00113 ACS https://pubs.acs.org/doi/10.1021/acsearthspacechem.3c00113 | 2023 |
2023 | 6. Experimental and theoretical investigation on the anti-corrosion characteristics of pyridine-substituted benzothiazole derivatives for mild steel in aqueous HCl Aditya Suhasaria, Rakhi Senapati, Sanjoy Satpati, Subhas Ghosal, Sukalpa Dey and Dipankar Sukul Phys. Chem. Chem. Phys. 25 & 17434-17449 SCI/SCOPUS https://doi.org/10.1039/D3CP01392H RSC https://pubs.rsc.org/en/content/articlehtml/2023/cp/d3cp01392h | 2023 |
2023 | 7. Structure and Bonding Patterns in C5H4 Isomers: Pyramidane, Planar Tetracoordinate Carbon, and Spiro Molecules Sayon Satpati, Tarun Roy, Sandip Giri, Anakuthil Anoop, Venkatesan S. Thimmakondu and Subhas Ghosal* Atoms Vol no.- 11(6), Page no.-96 SCOPUS https://doi.org/10.3390/atoms11060096 MDPI https://www.mdpi.com/2218-2004/11/6/96 | 2023 |
2023 | 8. Effect of the Heterocyclic Groups on the Anti-corrosion Performance of Heterocyclic Schiff Bases of Benzothiazole for Mild Steel in 1 M Aqueous HCl Aditya Suhasaria, Sanjoy Satpati, Subhas Ghosal, Sukalpa Dey, Dipankar Sukul Journal of Bio-and Tribo-Corrosion Vol. 9 & page 26 SCOPUS Springer International Publishing https://link.springer.com/article/10.1007/s40735-023-00746-9 | 2023 |
2023 | 9. Interaction of newly synthesized dipeptide Schiff bases with mild steel surface in aqueous HCl: Experimental and theoretical study on thermodynamics, adsorption and anti-corrosion characteristics Sanjoy Satpati, Aditya Suhasaria, Subhas Ghosal, Sukalpa Dey, Dipankar Sukul Materials Chemistry and Physics 296 & 127200 SCI/SCOPUS https://doi.org/10.1016/j.matchemphys.2022.127200 Elsevier https://www.sciencedirect.com/science/article/pii/S0254058422015061 | 2023 |
2022 | 10. A new Febuxostat-Telmisartan Drug-Drug Cocrystal for Gout-Hypertension Combination Therapy Thipashini Ganesan, Prakash Muthudoss, Raja Sekhar Voguri, Subhas Ghosal, Eddy Yii Chung Ann, Jayson Kwok, Sajid Syed Shahnawaz, Muhammad Firdaus Omar, Ravikiran Allada, Hong Heng See Journal of pharmaceutical sciences 111(12) & 3318-3326 SCI/SCOPUS https://doi.org/10.1016/j.xphs.2022.08.022 Elsevier https://www.sciencedirect.com/science/article/abs/pii/S0022354922003574 | 2022 |
ID | Details | Year |
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2017 | 1.Atomistic simulation of mixed mode fracture in vitreous silica ASME International Mechanical Engineering Congress and Exposition | 2017 |
2014 | 2.Photoassociation of ultracold LiRb molecules with short pulses near a Feshbach resonance APS Division of Atomic, Molecular and Optical Physics Meeting Abstracts | 2014 |
2013 | 3.Effect of p-wave resonances on the threshold behavior of ultracold chemical reactions APS Division of Atomic, Molecular and Optical Physics Meeting Abstracts | 2013 |
2012 | 4.Threshold resonances in ultracold chemical reactions Bulletin of the American Physical Society | 2012 |
2012 | 5.hreshold resonances in ultracold chemical reactions Bulletin of the American Physical Society | 2012 |
2010 | 6.Interference of Feshbach and zero-energy resonances in ultracold chemical reactions APS Division of Atomic, Molecular and Optical Physics Meeting Abstracts | 2010 |
2010 | 7.Role of Feshbach resonances in enhancing the production of deeply bound ultracold LiRb molecules with laser pulses APS Division of Atomic, Molecular and Optical Physics Meeting Abstracts | 2010 |
2010 | 8.Zero energy resonances in reactive scattering: anomalous temperature dependence of atom--molecule reaction rates APS Division of Atomic, Molecular and Optical Physics Meeting Abstracts | 2010 |
2004 | 9.Probing the pre-reactive a Cl (2 P)+ H 2 (D 2) Van der Waals well through the photodetachment spectroscopy of Cl-H 2 (D 2). CP-31 Proceedings of DAE-BRNS symposium on theoretical chemistry | 2004 |
ID | Title |
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Time-dependent wave packet dynamics of the atom-diatom reactive scattering R. Padmanaban, S. Ghosal, B J Rao and S. Mahapatra A book Chapter in: Atomic structure and collision processes, page 267- 277 Ed. Man Mohan, ISBN: 978-81-7319-811-3 (2010). |
1. Time-dependent wave packet dynamics of the atom-diatom reactive scattering R. Padmanaban, S. Ghosal, B J Rao and S. Mahapatra A book Chapter in: Atomic structure and collision processes, page 267- 277 Ed. Man Mohan, ISBN: 978-81-7319-811-3 (2010). |
Associate Chief Warden
Warden (Hall 6)
PG Coordinator in the Department of Chemistry
Mailing Address:
Department of Chemistry, National Institute of Technology Durgapur, M G Avenue, Durgapur 713209, West Bengal, INDIA
Mobile : +91-9434789048
Email : subhas.ghosal@ch.nitdgp.ac.in