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Bio / CV

mishra@chem.iitkgp.ac.in

B-81, IIT Campus, Kharagpur - 721302, West Bengal

Education

<p><!--StartFragment -->Sabyashachi Mishra completed his Bachelor of Science in Chemistry at Ravenshaw College, Cuttack (1998&ndash;2001), followed by a Master of Science at the University of Hyderabad (2001&ndash;2003). He then pursued doctoral studies at the Department of Chemistry, Technical University of Munich, Germany, earning his PhD between 2003 and 2006.<!--EndFragment --></p>

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Experience

<p>Sabyashachi Mishra worked as a Postdoctoral Fellow at the Department of Chemistry, University of Basel, Switzerland (2007&ndash;2009), followed by the Department of Biochemistry, University of Zurich, Switzerland (2009&ndash;2012). He then joined the Department of Chemistry at IIT Kharagpur, India, as an Assistant Professor (2012). He is currently serving as a Professor in the same department. Alongside this, he has served as Associate Faculty at the Centre for Theoretical Studies, IIT Kharagpur, since 2014, and as Associate Head of the Centre for Computational and Data Sciences during 2020&ndash;2021.<!--EndFragment --></p>

Research Statement

Computational Chemistry in Molecular Biology and Molecular Physics 

  • Quantum Computing in Chemistry

  • Enzyme Catalysis with QM/MM Approach

  • Multi-scale Simulations of Biochemical Systems

  • Excited State Molecular Spectroscopy

  • Molecular Magnetism

  • Electronic Structure in Complex Systems

1. Theory of Relativistic Vibronic Coupling in Molecular Physics

2. Relativistic Quantum Chemistry

3. Molecular Structure and Spectroscopy in Excited States

4. Reactive Processes in Biology

5. Quantum Computing in Chemistry

Publications

Books & Chapters

S. Karmakar, S. Muduli, A. Paul, and S. Mishra, "Electron Density in the Multiscale Treatment of Biomolecules" In Fundamentals of Electron Density. Nova Science Publishers,, 2023

Journal Publications

Harshdeep Singh, Sonjoy Majumder, and Sabyashachi Mishra, "Hueckel Molecular Orbital Theory on a Quantum Computer: A Scalable System-Agnostic Variational Implementation with Compact Encoding" arXiv (quant-ph), 2023
Harshdeep Singh, Sabyashachi Mishra, Sonjoy Majumder, "On The Study Of Partial Qubit Hamiltonian For Efficient Molecular Simulation Using Variational Quantum Eigensolvers" arXiv (quant-ph), 2023
C. Mandal, S. Joshi, S. Das, S. Mishra, and D. Mukherjee, "2-Anilidomethylpyridine-Derived Three-Coordinate Zinc Hydride: The Journey Unveils Anilide Backbone’s Reactive Nature" Inorg. Chem. (2023) In Press., 2023
R. Majumder, S. Karmakar, S. Mishra, A. B. Mallick, C. Das Mukhopadhyay, "Functionalized Carbon Nano-Onions as a Smart Drug Delivery System for the Poorly Soluble Drug Carmustine for the Management of Glioblastoma" ACS Appl. Bio Mater. (2023) In Press., 2023
K. Dakua, K. Rajak, and S. Mishra, "The Interplay of Vibronic and Spin-Orbit Coupling in the Fluorescence Quenching in trans-dithionated PDI" J. Chem. Phys., 2023
H. Singh, S. Majumder, and S. Mishra, "Benchmarking of Different Optimizers in the Variational Quantum Algorithms for Applications in Quantum Chemistry" J. Chem. Phys., 2023
S. Joshi, S. Roy Chowdhury, and S. Mishra, "Spin-State Energetics and Magnetic Anisotropy in Penta-coordinated Fe(III) Complexes with Different Axial and Equatorial Ligand Environments" Phys. Chem. Chem. Phys., 2023
M. Ghosh, S. Parida, H. Khatoon, N. Bera, S. Mishra, and N. Sarkar, "Excited-State Photophysics of Curcumin and its Modulation in Alkaline Non-Aqueous Medium" ChemPhysChem (2023) e202300174., 2023
S. K. Padhan, S. Muduli, N. Murmu, G. Sahoo, S. Mishra, and S. N. Sahu, "A coumarin-salicylidene based fluorescent chemodosimeter for sub-ppb level detection of aluminium ion via metal ion induced hydrolytic cleavage of aldimine bond" J. Mol. Liq., 2023
S. K. Pati, D. Patra, S. Muduli, S. Mishra, and S. Park, "Energy Storage Application of Conducting Polymers Featuring Dual Acceptors: Exploring Conjugation and Flexible Chain Length Effects" Small, 2023
A. Paul and S. Mishra, "Deciphering the Role of the Two Metal–Binding Sites of DapE Enzyme via Metal Substitution" Comput. Biol. Chem., 2023
S. Muduli, S. Mishra,, "Ligands-Induced Open-Close Conformational Change during DapE Catalysis: Insights from Molecular Dynamics Simulations" PROTEINS, 2023
D. Patra, X. Zhan, R. Linthoinganbi, S. Muduli, S. Mishra, Y. Liu, and S. Park, "Synthesis and Application of Dual Electron-Deficient Featured Copolymers and their Sequential Fluorination for Ambipolar Organic Thin Film Transistors" J. Mat. Chem. C, 2023
S. Parida, S.K. Patra and S. Mishra, "Self-Assembling Behaviour of Perylene, Perylene Diimide, and Thionated Perylene Diimide Deciphered through Non-Covalent Interactions" ChemPhysChem, 2022
S. Mandal, R. Samajdar, S. Parida, S. Mishra, A. Bhattacharyya, "Transition Metal Phthalocyanines as Redox Mediators in Li–O2 Batteries: A Combined Experimental and Theoretical Study of the Influence of 3d Electrons in Redox Mediation" ACS Appl. Mater. Interfaces, 2022
S. Rahman, K. Rajak, S. Mishra, and A. K. Das, "Identification of potential inhibitors against FemX of Staphylococcus aureus: A hierarchial in-silico drug repurposing approach" J. Mol. Graph. Model., 2022
K. K. Dakua, K. Rajak, and S. Mishra, "Spin-Vibronic Coupling in the Quantum Dynamics of a Fe(III) Trigonal Bipyramidal Complex" J. Chem. Phys. (2022), 2022
A. Sil, S. S. Roy, V. K. Mishra, S. N. Islam, S. Mishra, and S. K. Patra, "Modulation of Electrochemical and Spectroscopic Properties in Ru(II)-Terpyridyl End-capped Homobimetallic Organometallic Complexes by Varying pi-Conjugated Organic Spacers" Chemistry Select (2022), 2022
H. Battula, S. Muduli, S. P. Bandi, S. Kapoor, S. Mishra, H. Aggarwal, V. Venuganti, S. Jayanty, "Selective and Swift-responsive off-on Rhodamine B Based Chemosensors: Recognition of Multi-Metal Ions, On-site Sensing of Fe(III) in Water Samples and Bioimaging in Aqueous Media" J. Photochem. Photobiol. A, 2022
M. Rakshit, S. Muduli, P. Srivastav and S. Mishra, "Pomegranate Peel Polyphenols Prophylaxis Against SARS-CoV-2 Main Protease by In-silico Docking and Molecular Dynamics Study" Journal of Biomolecular Structure and Dynamics, 2021
Syed, A., Mishra, S. & Jayanty, S., "7,7-bis(N, N-diethylethylenediamino)-8,8-dicyanoquinodimethane: Effect of Ethyl Moiety on the Photophysical Property besides Thermal Stability" Journal of Fluorescence, 2021
A. Paul and S. Mishra, "Metal-Ion Promiscuity of Microbial Enzyme DapE at its Second Metal Binding Site" J Biol Inorg Chem 26, 569–582 (2021), 2021
V. K. Jha, S. Das, V. Subramaniyan, T. Guchhait, K. K. Dakua, S. Mishra and G. Mani, "Synthesis, Structural Characterization, and Bonding Analysis of Two-coordinate Copper(i) and Silver(i) Complexes of Pyrrole-based bis(phosphinimine): New Metal-Pyrrole Ring ?-Interactions" Dalton Trans., 2021,50, 8036-8044, 2021
A. Syed, H. Battula, S. Mishra, and S. Jayanty, "Distinct Tetracyanoquinodimethane Derivatives: Enhanced Fluorescence in Solutions and Unprecedented Cation Recognition in the Solid State" ACS Omega, 2021
S. S. Roy, S. Roy Chowdhury, S. Mishra, and S. K. Patra, "Role of Substituents at 3?position of Thienylethynyl Spacer on Electronic Properties in Diruthenium(II) Organometallic Wire?like Complexes" Chem.asian.J, 2020
A. Bankura, S. Naskar, S. Roy Chowdhury, R. Maity, S. Mishra, and I. Das, "C3-Thioester/-Ester Substituted Linear Dienones: A Pluripotent Molecular Platform for Diversification via Cascade Pericyclic Reactions" Adv. Synth. Catal., 2020
P. Banerjee, K. Rajak, P.K. Nandi, S. Pal, M.Ghosh, S. Mishra and N. Sarkar, "Aging Dependent Morphological Crystallinity Determines Membrane Activity of L-Phenylalanine Self-Assembles" J. Phys. Chem. Lett. (2020), Just accepted, 2020
S.K. Pradhan, V.K. Mishra, N.Murmu, S.Mishra and S.N. Sahu, "Through bond energy transfer (TBET)-operated fluoride ion sensing via spirolactam ring opening of a coumarin–fluorescein bichromophoric dyad†" RSC Adv., (2020),10, 28422-28430, 2020
V.K. Mishra and S.Mishra, "Flipped regiospecificity in L434F mutant of 8-lipoxygenase" Phys. Chem. Chem. Phys.,(2020),22, 16013-16022, 2020
S. Manna and S. Mishra, "Correlation Effects in the Photoelectron Spectrum and Photoionization Dynamics of OsO4" Phys. Chem. Chem. Phys. 22 (2020) 628-641, 2020
V. K. Mishra and S. Mishra, "On the Origin of Regio- and Stereo-Specific Catalysis by 8-Lipoxygenase" J. Phys. Chem. B 123, 50 (2019) 10605-10621, 2019
S. Roy Chowdhury and S. Mishra, "Light-Induced Spin Crossover in an Intermediate-Spin Penta-Coordinated Iron(III) Complex" J. Phys. Chem. A 123 (2019) 9883-9892., 2019
L. V. Poluyanov, W. Domcke, and S. Mishra, "Spin-orbit Vibronic Coupling in Quartet Pi States of Linear Triatomic Molecules" J. Chem. Phys. 151 (2019) 134103., 2019
D. Dutta, V. K. Mishra, and S. Mishra, "QM/MM-MD Simulation of the Catalytic Hydrolysis of L-Captopril by Microbial Enzyme DapE" J. Ind. Chem. Soc. 96 (2019) 767-774., 2019
S. Som Chaudhury, A. Sannigrahi, M. Nandi, V. K. Mishra, P. De, K. Chattopadhyay, S. Mishra, J. Sil, and C. Das Mukhopadhyay, "A Novel PEGylated Block Copolymer in New Age Therapeutics for Alzheimer's Disease." Molecular Neurobiology 56 (2019) 6551-6565., 2019
A. Sil, U. Ghosh, V. K. Mishra, S. Mishra, and S. K. Patra, "Synthesis, Structure, Electrochemical and Spectroscopic Properties of Hetero-Bimetallic Ru(II)/Fe(II)-Alkynyl Organometallic Complexes." Inorg. Chem. 58 (2019) 1155-1166., 2019
S. Naskar, S. Roy Chowdhury, S. Mondal, D. K. Maiti, S. Mishra, and I. Das, "Visible-Light-Activated Divergent Reactivity of Dienones: Dimerization in Neat Conditions and Regioselective E to Z Isomerization in the Solvent." Organic Letters, 2019
S. Roy Chowdhury and S. Mishra, "Ab Initio Investigation of Magnetic Anisotropy in Intermediate Spin Iron(III) Complexes" J. Chem. Phys., 2018
S. Manna and S. Mishra, "Vibronic Structures and Photoelectron Angular Distribution in the Photoelectron Spectrum of ICN" J. Chem. Phys. 149 (2018) 204308., 2018
S. Roy Chowdhury, S. Manna, and S. Mishra, "Electronic Structure and Photoelectron Spectroscopy of Manganese Dihalides from Quantum Chemical Methods and Dyson Orbitals" Chem. Phys. 515 (2018) 513-520., 2018
A. Sil, S. Roy Chowdhury, S. Mishra and S. K. Patra, "Synthesis, Structure, and Photophysical and Electrochemical Properties of Ru(II) Complexes of Arylene-vinylene Terpyridyl Conjugates" Dalton Trans. 47 (2018) 9877-9888, 2018
S. Roy, A. Sil, D. Giri, S. Roy Chowdhury, S. Mishra and S. K. Patra, "Diruthenium(II)-capped Oligothienylethynyl Bridged Highly Soluble Organometallic Wires Exhibiting Long-range Electronic Coupling " Dalton Trans. 47, 14293, 2018
D. Dutta and S. Mishra, "L-Captopril and its Derivatives as Potential Inhibitors of Microbial Enzyme DapE: A Combined Approach of Drug Repurposing and Similarity Screening" J. Mol. Graphics Modell. 84 (2018) 82-89., 2018
B. A. Kumar, S. Roy Chowdhury, S. Mishra and R. R. Nayak , "Synthesis and Studies on Gelation Ability of Phenol Based Maleate Amphiphile and its Application in Nutraceutical Release " Colloids Surf. A 537 (2017) 310-317., 2017
S. Roy Chowdhury and S. Mishra , "Large Magnetic Anisotropy in Linear Co(II) Complexes: Ab Initio Investigation of Role of Ligand Field, Structural Distortion, and Conformational Dynamics " Eur. J. Inorg. Chem. (2017) 659-668., 2017
S. Roy Chowdhury and S. Mishra, "Heavy Ligand Atom Induced Large Magnetic Anisotropy in Mn(II) Complexes" Phys. Chem. Chem. Phys. 19 (2017) 16914-16922., 2017
D. Dutta and S. Mishra , "Active Site Dynamics in the Substrate Hydrolysis Catalyzed by DapE Enzyme and Its Mutants from Hybrid QM/MM Molecular Dynamics Simulation " J. Phys. Chem. B 121 (2017) 7075-7085., 2017
T. S. Mahapatra, A. Bauza, D. Dutta, S. Mishra, A. Frontera, and D. Ray , "Carboxylate coordination assisted aggregation for quasi-tetrahedral and partial-dicubane [Cu4] coordination clusters " ChemistrySelect 1 (2016) 64-74., 2016
S. B. Halima, S. Mishra, K. M. Raja, M. Willem, A. Baici, K. Simons, O. Brustle, P. Koch, C. Haass, A. Caflisch, L. Rajendran , "Specific Inhibition of beta-Secretase Processing of the Alzheimer Disease Amyloid Precursor Protein " Cell Reports, 14 (2016) 2127-2141. , 2016
B. Tah, D. Dutta, P. Pal, G. B. Talapatra, and S. Mishra , "QM/MM Simulation of the Amide-I Band in the Raman Spectrum of Insulin " Mol. Phys. 114 (2016) 1939-1951., 2016
D. Dutta and S. Mishra , "Structural and mechanistic insight into the substrate binding from the conformational dynamics in apo and substrate-bound DapE enzyme " Phys. Chem. Chem. Phys. 18 (2016) 1671-1680., 2016
S. Manna and S. Mishra , "The Role of Spin-Orbit Coupling in the Double-Ionization Photoelectron Spectra of XCN2+ (X = Cl, Br, and I) " J. Phys. Chem. A 120 (2016) 1554-1561., 2016
D. Dutta and S. Mishra , "Loss of Catalytic Activity in the E134D, H67A, and H349A Mutants of DapE: Mechanistic Analysis with QM/MM Investigation " J. Phys. Chem. B 120 (2016) 11654-11664., 2016
S. Kumar, G. Mani, D. Dutta, and S. Mishra , "Structural diversity of copper(I) complexes formed by pyrrole- and dipyrrolylmethane-based diphosphine ligands with Cu-X...HN hydrogen bonds " Inorg. Chem. 53 (2014) 700., 2014
B. Tah, P. Pal, S. Roy, D. Dutta, S. Mishra, M. Ghosh, and G. B. Talapatra , "Quantum-mechanical DFT calculation supported Raman spectroscopic study of some amino acids in bovine insulin " Spectrochim. Acta A 129 (2014) 345-351., 2014
B. Tah, P. Pal, S. Mishra, and G. B. Talapatra , "Interaction of insulin with anionic phospholipid (DPPG) vesicles " Phys. Chem. Chem. Phys. 16 (2014) 3987-3991., 2014
D. Dutta and S. Mishra , "The structural and energetic aspects of substrate binding and the mechanism of action of the DapE-encoded N-succinyl-L,L-diaminopimelic acid desuccinylase (DapE) investigated using a hybrid QM/MM method " Phys. Chem. Chem. Phys. 16 (2014) 26348-26358., 2014
S. Mishra and A. Caflisch , "Dynamics in the active site of beta secretase: A network analysis of atomistic simulations " Biochemistry 50 (2011) 9328., 2011
S. Mishra and M. Meuwly , "Atomistic simulation of NO dioxygenation in group I truncated hemoglobin " J. Am. Chem. Soc. 132 (2010) 2968., 2010
S. Mishra and M. Meuwly , "Reactive processes with molecular simulations " In Kinetics and Dynamics From Nano to Bio Scale. Springer Series: Challenges and Advances in Computational Chemistry and Physics, Volume 12 (2010) Chapter 5., 2010
S. Mishra and M. Meuwly , "Quantitative analysis of ligand migration from transition networks " Biophys. J. 99 (2010) 3969., 2010
S. Mishra and M. Meuwly , "Nitric oxide dynamics in truncated hemoglobin: Docking sites, migration pathways, and vibrational spectroscopy from molecular dynamics simulations " Biophys. J. 96 (2009) 2105., 2009
I. Sioutis, S. Mishra, L. V. Poluyanov, and W. Domcke , "Renner-Teller and spin-orbit vibronic-coupling effects in linear triatomic molecules with a half-filled pi shell " J. Chem. Phys. 128 (2008) 124318., 2008
S. Mishra , "Structural and spectroscopic study of the excited electronic states of silver dihalides by quantum chemical methods " Phys.Chem. Chem. Phys. 10 (2008) 3987., 2008
L. V. Poluyanov, S. Mishra, and W. Domcke , "Quasiclassical theory of the dynamical Exe Jahn-Teller effect including spin-orbit interaction " Mol. Phys. 105 (2007) 1471., 2007
L. V. Poluyanov, S. Mishra, and W. Domcke , "Quasistationary upper-well states of Exe Jahn-Teller systems with spin-orbit coupling " Chem. Phys. 332 (2007) 243., 2007
S. Mishra, L. V. Poluyanov, and W. Domcke , "Spin-orbit vibronic coupling in 3II states of linear triatomic molecules " J. Chem. Phys. 126 (2007) 134312., 2007
S. Mishra , "Theoretical calculation of the photodetachment spectra of XAuY- (X, Y= Cl, Br, and I) " J. Phys. Chem. A 111 (2007) 9164., 2007
S. Mishra, W. Domcke, and L. V. Poluyanov , "A study of spin-orbit vibronic-coupling effects in the A3II state of CCX (X = O, S, Se) and CNY (Y = N, P, As) " Chem. Phys. Lett. 446 (2007) 256, 2007
W. Domcke, S. Mishra, and L. V. Poluyanov. , "The relativistic Exe Jahn-Teller effect revisited " Chem. Phys. 322 (2006) 405., 2006
S. Mishra, V. Vallet, and W. Domcke. , "Importance of spin-orbit coupling for the assignment of the photodetachment spectra of AuX2, X= Cl, Br, and I " ChemPhysChem. 7 (2006) 723., 2006
S. Mishra, V. Vallet, L. V. Poluyanov, and W. Domcke. , "Calculation of the vibronic structure of the X2II photoelectron spectra of XCN, X= F, Cl, and Br " J. Chem. Phys. 124 (2006) 044317., 2006
S. Mishra, W. Domcke, and L. V. Poluyanov , "Study of strong Sigma-II and spin-orbit vibronic coupling in linear triatomic molecules " Chem. Phys. 327(2006) 457., 2006
S. Mishra, V. Vallet, L. V. Poluyanov, and W. Domcke , "Calculation of the vibronic structure of the photodetachment spectra of CCCl- and CCBr- " J. Chem. Phys. 125 (2006) 164327., 2006
S. Mishra, V. Vallet, L. V. Poluyanov, and W. Domcke. , "Spectroscopic effects of first-order relativistic vibronic coupling in linear triatomic molecules " J. Chem. Phys. 123 (2005) 124104., 2005

Conference Publications

H. Singh, S. Mishra, S. Majumder, "On the Study of Partial Qubit Hamiltonian for Efficient Molecular Simulation Using Variational Quantum Eigensolvers" IEEE iQ-CCHESS (2023), 2023
Harshdeep Singh, Sabyashachi Mishra, Sonjoy Majumder, "Extracting Information from Partial Hamiltonian of Simple Molecules for Designing Efficient Variational Quantum Eigensolvers" Optica Quantum 2.0 Conference and Exhibition, Technical Digest Series (Optica Publishing Group, 2023), paper QTu3A.18., 2023

Projects

Cooperativity in ligand migration
Client: ISIRD, IIT Kharagpur
PI: Sabyashachi Mishra  |  Co-Consultant(s):
Catalytic hydrolysis by a microbial enzyme
Client: DST India
PI: Sabyashachi Mishra  |  Co-Consultant(s):
Chemical dynamics and relativistic effects
Client: ISIRD, IIT Kharagpur
PI: Sabyashachi Mishra  |  Co-Consultant(s):
Conformational dynamics and catalysis
Client: DST India
PI: Sabyashachi Mishra  |  Co-Consultant(s):
Spin crossover in metal complexes
Client: CSIR, India
PI: Sabyashachi Mishra  |  Co-Consultant(s):

Awards and Recognition

1. Sabyashachi Mishra receives Odisha Young Scientist Award (2017).
<p><img alt="" src="http://chemistry.iitkgp.ac.in/fac/SM/gppics/sm_oba.JPG" style="height:302px; width:400px" /></p>
2. Sabyashachi Mishra receives Faculty Excellence Award of IIT Kharagpur (2017).
<p><img alt="" src="http://chemistry.iitkgp.ac.in/fac/SM/gppics/sm_ifa.png" style="height:230px; width:454px" /></p>
3. Sabyashachi Mishra becomes Young Associate of the Indian Academy of Sciences (2016).
4. Ramanujan Fellowship of the Department of Science and Technology, India, 2012 for Sabyashachi Mishra.
5. DST INSPIRE Faculty Award from the Department of Science and Technology, India, 2012 for Sabyashachi Mishra.
6. Sabyasachi Roy Chowdhury received best poster award in the 'Modern Trends in Molecular Magnets' conference organized by IIT Bombay during May, 2016
<p><img alt="" src="http://chemistry.iitkgp.ac.in/fac/SM/gppics/src-mtmm.jpg" style="height:300px; width:454px" /></p>
7. Soumitra Manna received best poster award in the '9th Conference of the Asia-Pacific Association of Theoretical and Computational Chemistry' in Sydney, Australia in October, 2019.
<p><img src="https://lh5.googleusercontent.com/9s1EiJhzJVx6hCPApH4wlcGpThG-vuqU6wjvlKOyK3yxlgLBF6vdHyT1BW1Qshw-3kFNdaVnsC0r9HAGL4gIf-5ZORUL0z-03qlAyNS8cjLpUrclqIiwbM1erdYb4BRtzZ2Y7qWn" style="height:300px; margin-left:0px; margin-top:0px; width:454px" /></p>
8. Sabyasachi Roy Chowdhury received best poster award in the 'Recent Advances in Molecular Magnetism' conference organized by IIT Kharagpur in November, 2019.
<p><img alt="" src="http://chemistry.iitkgp.ac.in/fac/SM/gppics/src_ramm.jpg" style="height:332px; width:454px" /></p>
9. Sabyasachi Roy Chowdhury successfully defended his PhD Thesis. Dr.Kumar Vanka, CSIR-National Chemical Laboratory, Pune was the Examiner on February 2020.
<p><img alt="apat" src="http://chemistry.iitkgp.ac.in/fac/SM/gppics/IMG-20200205-WA0007.jpg" style="height:342px; width:500px" /></p>
10. Mr. Vipin Kumar Mishra received the 'Young Scientist Award' in the area of Chemistry in ICSEEC-2020 conference, organised by G. H. Raisoni University Madhya Pradesh, July-2020
<p><img src="http://chemistry.iitkgp.ac.in/fac/SM/gppics/vipin_ysa.png" style="height:315px; width:600px" /></p>
11. Dr. Sabyashachi Mishra has been selected as a Member of the National Academy of Sciences, India (NASI) for the year 2020.
12. Soumitra Manna successfully defended his PhD thesis. Dr. Sanjay Kumar, IIT Madras, Tamilnadu was his Examiner on August -2020
<p><img alt="apat" src="http://chemistry.iitkgp.ac.in/fac/SM/gppics/mannaPhD.jpeg" style="height:289px; width:400px" /></p>
13. Vipin Kumar Mishra received the Professor Santi Ranjan Palit Memorial Award for oral presentation in the 57th Annual Convention of Chemists, 2020 and International Conference on “Recent Trends in Chemical Sciences (RTCS-2020)” .
14. Sunita Muduli recieved best poster presentation award by PCCP at " National Conference on Molecular Modelling and Simulations (NCMMS 2022)" organized by VIT, Bhopal.

Courses Taught

Introduction to Quantum Chemistry and Spectroscopy (CY41009)
Physical Chemistry Laboratory II (CY39001)
Introduction to Computational Chemistry (CY40014)
Quantum Methods in Molecular Simulations (TS62002)
Chemical Bonding and Reactivity (CY61010)
Molecular Spectroscopy and Molecular Structure (CY61044)
Advanced Quantum Chemistry (CY60105)
Chemistry Laboratory - 1 (CY19001)
Chemistry - 1 (CY11001)
Biochemical Techniques Laboratory (CY49006)
Physical Chemistry Lab II (CY39001)
Preparatory Chemistry (CY0001)

Patents

No patents on record.

Research Group

Current Members

Moromi Nath
Moromi Nath
Computational Chemistry
moromi1593@gmail.com
Soumyajit Karmakar
Soumyajit Karmakar
Computational Chemistry
soumyajitkarmakar9991@gmail.com
Sourav Manna
Sourav Manna
Computational Chemistry
souravmanna036@gmail.com

Alumni

Atanuka Paul
Atanuka Paul
QM/MM Modelling of Enzyme Catalysis
Debodyuti Dutta
Debodyuti Dutta
Enzyme Catalysis and Drug Design
Harshdeep Singh
Harshdeep Singh
Quantum Computing
Karunamoy Rajak
Karunamoy Rajak
Computational Chemistry
Kishan Kumar Dakua
Kishan Kumar Dakua
Computational Chemistry
Sabyasachi Roy Chowdhury
Sabyasachi Roy Chowdhury
Molecular Megnetism
Sanjukta Parida
Sanjukta Parida
Computational Chemistry
Shalini Joshi
Shalini Joshi
Computational Chemistry
Soumitra Manna
Soumitra Manna
Molecular Spectroscopy
Sunita Muduli
Sunita Muduli
Computational Chemistry
Susanta Ghanta
Susanta Ghanta
QM/MM modelling of excited state processes
Vipin Kumar Mishra
Vipin Kumar Mishra
QM/MM Modelling of Enzyme Catalysis