Faculty Profile

Dr. Kousik Giri
Assistant Professor
Centre for Computational Sciences
School of Basic and Applied Sciences
Central University of Punjab
Bathinda- 151001
Email Id: kousikgiri@gmail.com
Mobile:+91-7307506368
+91-9501586930

 
Education :
  • Ph.D. (2002-2007: Chemistry) Department of Chemistry, Indian Institute of Technology Kanpur, India, Advisor:  Professor N. Sathyamurthy
  • M.Sc. (2000-2002: Chemistry) Banaras Hindu University, Varanasi, India
  • B.Sc. (1997-2000: Chemistry(Hons), Mathematics, Physics) Kharagpur College, Vidyasagar University, West Bengal, India
Experience :
  • May 2013 – till date, Assistant Professor, Centre for Computational Sciences, Central University of Punjab, Bathinda
  • December 2009 – December 2012, Postdoctoral Research Associate, The University of Sheffield, UK
    Advisor:  Dr Anthony J. H. M. Meijer
  • March 2007 – December 2009, Research Staff, The University of Birmingham, UK
    Advisor:  Dr Graham A. Worth
Teaching Assignments :
  1. M.Sc. Courses
  2. ​CSC.501: Scientific Programming
    CSC.​ ​451: Mathematics for Chemists
    LBI. 505: Mathematics for Biologists
    CSC.504: Quantum Chemistry-I
    CSC.601: Electronic Structure Theory
    CSC.​ ​614: Advanced Statistical Mechanicsand Molecular Reaction Dynamics
Research Projects :

Ongoing

  1. Arsenate and Arsenite Reaction Kinetics with Ferric Hydroxide using Quantum Chemical Calculations, UGC-New Delhi, 6 Lakh
  2.  Theoretical Study of the Molecular Mechanism(s) of Arsenic Toxicity, DST SERB, New Delhi, 21 Lakhs

Professional Recognition /Awards/Scholarship :
  • December 2009 – December 2012, Postdoctoral Research Fellowship from the Engineering and Physical Sciences Research Council, UK
  • March 2007 – December 2009, Postdoctoral Research Fellowship from the Engineering and Physical Sciences Research Council, UK  
  • July 2002 – February 2007, Junior and Senior Research Fellowship (NET 2002) from the Council of Scientific and Industrial Research, Government of India, New Delhi 
Area specializations/Research Interest :

Field of Specialization: Theoretical and Computational Chemistry-Reaction Dynamics
Research Interest

  • Generating potential energy surface and fitting
  • Full-dimensional quantum dynamics of small systems (using QUANTICS)
  • Surface-molecule scattering
  • Reduced dimensional molecular dynamics of large systems, inorganic and organic reactions
  • Ground and excited state electronic structure studies of organic and inorganic molecules 
Publications :

Research Papers

  1. . Three Dimensional Quantum Dynamics of (H−,  H2) and its Isotopic Variant,Aditya Narayan Panda, Kousik Giri, and N. Sathyamurthy, J. Phys. Chem. A, 109, 2057 (2005).
  2. Ground and Excited States of the Monomer and Dimer of Certain Carboxylic Acids, U. Lourderaj, Kousik Giri, and N. Sathyamurthy, J. Phys. Chem. A, 110, 2709 (2006).
  3. Rotational Excitation in (H−, H2) Collisions: A Quantum Mechanical Study, Kousik Giri and N. Sathyamurthy, J. Phys. B: At. Mol. Phys., 39, 4123 (2006).
  4. The Influence of Reagent Rotation on (H−, D2) and (D−, H2) Collisions: A Quantum Mechanical Study, Kousik Giri and N. Sathyamurthy, J. Phys. Chem. A, 110, 13843 (2006).
  5. Quantum Dynamics of (H−, HD) Collisions at Low Energies, Kousik Giri and N. Sathyamurthy, Chem. Phys. Lett., 444, 23 (2007).
  6. Dissociative Double Ionization of CO­2: Dynamics, Energy Levels and Life Time, Vandana Sharma, B. Bapat, Jagannath Mondal, M. Hochlaf, Kousik Giri, and N. Sathyamurthy, J. Phys. Chem. A, 111, 10205 (2007).
  7. Multimode Quantum Dynamics Using Gaussian Wavepackets: The Gaussian-based Multiconfiguration Time-dependent Hartree (G-MCTDH) Method Applied to the Absorption Spectrum of Pyrazine, I. Burghardt, Kousik Giri, and G. A. Worth, J. Chem. Phys. 129, 174104 (2008).
  8. A Full-dimensional Coupled-surface Study of the Photodissociation Dynamics of Ammonia Using the Multiconfiguration Time-dependent Hartree Method, Kousik Giri, E. Chapman, C. Sanz Sanz, and G. A. Worth, J. Chem. Phys. 135,  044311 (2011).
  9. Collision-induced Dissociation in (He, H2+ (v = 0–2; j = 0–3)) System: A Time-Dependent Quantum Mechanical Investigation, Sujitha Kolakkandy, Kousik Giri and N. Sathyamurthy, J. Chem. Phys. 136, 244312       (2012).
  10. Relative stabilities and the spectral signatures of stacked and hydrogen­bonded dimers of serotonin. S. Dev, K. Giri, M. Majumder and N. Sathyamurthy. Mol. Phys. 113, 2952 (2015).
  11. 3-Cyano-2-azaanthracene-based “push-pull” fluorophores: A one-step preparation from 5-cyano-1, 2, 4-triazines and 2, 3-dehydronaphthalene, generated in situ, Dmitry S Kopchuk, Nikolay V Chepchugov, Olga S Taniya, Albert F Khasanov, Kousik Giri, Igor S Kovalev, Sougata Santra, Grigory V Zyryanov, Adinath Majee, Vladimir L Rusinov, and Oleg N Chupakhin, Tetrahedron Letters, 57, 5639 (2016).
  12. Solvent-free synthesis of 5-(aryl/alkyl) amino-1, 2, 4-triazines and α-arylamino-2, 2’-bipyridines with greener prospects, Dmitry S Kopchuk, Nikolay V Chepchugov, Igor S Kovalev, Sougata Santra, Matiur Rahman, Kousik Giri, Grigory V Zyryanov, Adinath Majee, Valery N Charushin, and Oleg N Chupakhin, RSC Advances, 7, 9610 (2017).
  13. Extended cavity pyrene-based iptycenes for the turn-off fluorescence detection of RDX and common nitroaromatic explosives, Valery N. Charushinab, Oleg N. Chupakhinab Albert F. Khasanov, Dmitry S. Kopchuk, Igor S. Kovalev, Olga S. Taniya, Kousik Giri, Pavel A. Slepukhin, Sougata Santra, Matiur Rahman, and Adinath Majee, New J. Chem. 41, 3112 (2017).
  14. Extended cavity pyrene-based iptycenes for the turn-off fluorescence detection of RDX and common nitroaromatic explosives, D. S. Kopchuk, N. V. Chepchugov, O. S. Taniya, A. F. Khasanov, K. Giri, I. S. Kovalev, S. Santra, G. V. Zyryanov, A. Majee, V. L. Rusinov, and O.N. Chupakhin, Synfacts, 13, 0154 (2017).
  15. Solvent-free synthesis of (poly) thiacalix [n] arenes: the evaluation of possible mechanism based on semi-preparative HPLC separation and mass-spectrometric investigation of the reaction products, Arkivoc, I S Kovalev, M Rahman, L K Sadieva, D E Pavlyuk, Kousik Giri, S Santra, D S Kopchuk, G V Zyryanov, A. Majee, O N Chupakhin, V N Charushina, 1, 159 (2017).
  16. Studies on the interactions of 5-R-3-(2-pyridyl)-1, 2, 4-triazines with arynes: inverse demand aza-Diels–Alder reaction versus aryne-mediated domino process, Organic & Biomolecular Chemistry. S Kopchuk, I L Nikonov, A F Khasanov, Kousik Giri, S Santra, I S Kovalev, E V Nosova, S. Gundala, P. Venkatapuram, G. V Zyryanov, A. Majee, O. N. Chupakhin, 28, 5119 (2018).
  17. 1-Hydroxypyrene-based micelle-forming sensors for the visual detection of RDX/TNG/PETN-based bomb plots in water, New J. Chem., I S Kovalev, O S Taniya, D S Kopchuk, K. Giri, A Mukherjee, S Santra, A. Majee, M Rahman, G V Zyryanov, V A Bakulev, O N Chupakhin 42, 19864 (2018).
  18. A PASE Approach towards (Adamantyl‐1)‐, Alkyl‐and (Het) Aryl‐Substituted [1, 2, 4] triazolo [1, 5‐d][1, 2, 4] triazines: A Sequence of Two Solvent‐Free Reactions Bearing Lower, Chemistry Select, A. P Krinochkin, D. S Kopchuk, K. Giri, Y. K Shtaitz, E. S Starnovskaya, I. A Khalymbadzha, R. A Drokin, E. N Ulomsky, S. Santra, Grigory V.nov, V. L Rusinov, O. N Chupakhin 3, 8202 (2018).
  19. Effect of arsenate substitution on phosphate repository of cell: a computational study, Royal Society Open Science, A. Singh, K. Giri, 5, 181565 (2018).
  20. Synthesis and photophysics of new unsymmetrically substituted 5, 5′-diaryl-2, 2′-bypiridine-based “push-pull” fluorophores, Dyes and Pigments,E S Starnovskaya, D S Kopchuk, A F Khasanov, O S Tanya, S Santra, K. Giri, M Rahman, I S Kovalev, G V Zyryanov, A. Majee, V N Charushin 162, 324 (2019).
Workshop/Conferences :

Conferences/Schools/Workshops participated

  1. 6th National Symposium: Chemical Research Society of India, IIT Kanpur, 6-8 February, 2004.
  2. Faraday Division Awards Symposium Prize Winning Research in Physical and Theoretical Chemistry, the University of Oxford, UK, 27th March, 2009.
  3. 21st      Annual Northern Universities Meeting on Chemical Physics (ANUMOCP), School of Chemistry, the University of Leeds, UK, 6th July, 2011.
  4. High-dimensional Quantum Dynamics: Challenges and Opportunities 2012, School of Chemistry, the University of Birmingham, UK, 12 – 14 April, 2012.

Conferences/Schools/Workshops posters 

  1. Symposium on Theoretical Chemistry, Bhabha Atomic Research Centre, Mumbai, December 9-12, 2004; Title: Dynamics of (H−, D2) Collisions on a New Ab Initio Potential Energy Surface.
  2. High Dimensional Quantum Dynamics, Leiden University, The Netherlands, September 28 – October 01, 2005; Title: Dynamics of (H−, D2) and (D−, H2) Collisions on an Accurate Ab initio Potential Energy Surface.
  3. International Conference (Humboldt-Kolleg on a broad topic: Structure and Characterization of Physical, Chemical, Bio- and Geo-Materials), Banaras Hindu University, Varanasi, November 28-30, 2005; Title: Dynamics of (H−, D2) and (D−, H2) Collisions on an Accurate Ab initio Potential Energy Surface.
  4. Discussion meeting on Spectroscopy and Dynamics of Molecules & Clusters, The International Centre, Goa, March 30–April 1, 2006; Title: Ground and Excited States of the Monomer and Dimer of Certain Carboxylic Acids.
  5. 2nd Workshop on High Dimensional Quantum Dynamics: Challenges and Opportunities, Montpellier, France, February 25–28, 2008, Title: Argon-Water Scattering: Using MCTDH.
  6. 20th      Annual Northern Universities Meeting on Chemical Physics (ANUMOCP), Durham of University, UK, July 7, 2010, Title: Study of Full dimensional Coupled-surface Photodissociation Dynamics of Ammonia Using Multiconfiguration Time-depnedent Hartree Method.
  7. XVIII European Conference on Dynamics of Molecular Systems, Curia/Anadia, Portugal, September 5–10, 2010, Title: Study of Full-dimensional Coupled surface Photodissociation Dynamics of Ammonia Using Multiconfiguration Time-dependent Hartree Method.
  8. XIX European Conference on Dynamics of Molecular Systems, University of Oxford, UK, September 9–14, 2012, Title: Quantum Dynamics Studies of Surface-catalysed H Atom Recombination.
  9. The 14th Theoretical Chemistry Symposium, CSIR-NCL Pune/IISER Pune, India, December 18-21, 2014, Title: Quantum Dynamical Studies of Surface-catalysed H Atom recombination.

Conferences/Schools/Workshops presentations

  1. Talk, 18th Annual Northern Universities Meeting on Chemical Physics (ANUMOCP), the University of Sheffield, UK, 25th June, 2008, Title: Full dimensional Quantum Scattering Study for Polyatomic Systems.
  2. Invited talk, the University of Sheffield, UK, 11th February, 2009, Title: Full- dimensional Quantum Scattering Study for Polyatomic Systems.
  3. Talk, QDFrame: Providing A Framework For Quantum Dynamics Simulation Codes, the University of Birmingham, UK, 14-15th December, 2009, Title: Potential Fitting: Multi-reference Point Cut-HDMR Using Potfit.
  4. Talk, 22nd Annual Northern Universities Meeting on Chemical Physics (ANUMOCP), The University of Sheffield, UK, July 4, 2012, Title: The Effect of Dynamically Non-rigid Surface on the Formation of H2 in the Interstellar Medium.
  5. Talk, Indian Institute of Science and Research Mohali, India, January 28, 2013, Title: High-dimensional Quantum Dynamics Using MCTDH.