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Sudip Kumar Chattopadhyay

About


Dr. Sudip Kumar Chattopadhyay was born in the small industrial town of Tribeni Tissues in the district of Hooghly, West Bengal. After high school, he attended Chandernagore Government College from where he graduated with Honours in Chemistry. After his Master’s from the University of Burdwan, he moved to Kolkata for his doctoral work in Quantum Chemistry with Professor Debashis Mukherjee at the Department of Physical Chemistry, IACS, Kolkata. He joined Indian Institute of Engineering Science and Technology (IIEST), Shibpur (erstwhile BESU, Shibpur) as a Lecturer and now he is Professor (HAG) of the Department of Chemistry. His primary research interest lies in developing new methods to provide a molecular level understanding of correlated electronic structure properties that are critically important in chemistry and physics.  His group also attempts to develop new models based on non-equilibrium statistical mechanics to address chemical and biological phenomena that are not well understood. He is also interested in finding out techniques that may enable us to elucidate the stochastic processes in gene regulation. His classroom teaching mainly includes courses related to Quantum Mechanics, Spectroscopy, Group Theory, Statistical Mechanics, Surface Chemistry,  Chemical Dynamics in Condensed Phases and Computational Chemistry. He is an avid reader and has a collection of different types of books. He likes to keep himself entertained by juggling between watching movies, reading magazines, and listening to music. Though not a great foodie, he loves traditional sweets of West Bengal and desserts.

“I learned much from my teachers, more from my friends and most from my students".

Academic Qualifications


  • Ph. D. (Theoretical Chemistry) from Indian Association for the Cultivation of Science (Under Jadavpur University), Kolkata, West Bengal, India
  • M. Sc. (Physical Chemistry) from University of Burdwan, West Bengal, India
  • B. Sc. (Hons, Chemistry) from Chandernagore Government College [under University of Burdwan], West Bengal,India

Research Statement


(I) Electronic Structure Theory  (Relativistic and Nonrelativistic)

The Chattopadhyay group develops and implements novel relativistic and nonrelativistic electronic structure theories to realize modeling of atomic and molecular structural properties of spectroscopic interest at the quantitative level.

(II) Transport Processes in Condensed Phases

The Chattopadhyay group also develops theoretical model to deal with chemical processes involving interactions between external field and matter, chemical reactions in condensed phases, and transport phenomena in complex physical systems.

(III) Systems Biology

Research in my group also focuses on computational biology mainly on the development of theory and applications of stochastic processes in gene regulation.

Latest Publications


  • 1 Nandi M., Chattopadhyay, S., Bandyopadhyay, S., and Banik, S. K., Channel assisted noise propagation in a two-step cascade, Chaos [Special issue (Focus): Anomalous Diffusion and Fluctuations in Complex Systems and Networks], 2024
  • 2 Chaudhuri, R. K. and Chattopadhyay, S.,, Geometrical structure and stability of buckminsterfullerene complexes containing mono- and poly-atomic molecules, 135, 69, Journal of Chemical Sciences (Invited Article, Special Issue on Interplay of Structure and Dynamics in Reaction Pathways, Chemical Reactivity and Biological Systems), 2023
  • 3 Roy, T. S., Nandi, M. Chattopadhyay, S. and Banik, S. K., Inter-play of degeneracy and non-degeneracy in fluctuations propagation in coherent feed-forward loop motif, 093502, J. Stats. Mech., 2023
  • 4 Chaudhuri, R. K. and Chattopadhyay, S., Theoretical investigations of electronic spectra of silver atom using all-electron scalar relativistic basis, 12, 125019, AIP Advances, 2022
  • 5 Chattopadhyay, S., Single-Root Multireference Brillouin-Wigner Perturbative Approach to Excitation Energies, 6, 1668-1686, ACS Omega, 2021
  • 6 Chaudhuri, R. K. and Chattopadhyay, S., Description of the Methylene Amidogene Radical and Its Anion with an Economical Treatment of Correlation Effects Using Density Functional Theory Orbitals, 125, 543-558, Journal of Physical Chemistry A, 2021
  • 7 Chaudhuri, R. K. and Chattopadhyay, S., A Fock space coupled cluster based probing of the single- and double-ionization profiles for the poly-cyclic aromatic hydrocarbons and conjugated polyenes, 154, 114106, Journal of Chemical Physics, 2021
  • 8 Sharma, A., Chattopadhyay, S., and Sinha, D., Exploring the spectroscopic constants of 2u , 2u Main and Satellite, and 2g and  states of N2+  ion through the window of eigenvalue independent partitioning: A Fock space coupled cluster approach [SPECIAL ISSUE IN HONOUR OF JÜRGEN GAUSS], 118, e1774673, Molecular Physics, 2020
  • 9 Manna, S., Chaudhuri, R. K. and Chattopadhyay, S., Taming the Excited States of Butadiene, Hexatriene and Octatetraene using State Specific Multireference Perturbation Theory with Density Functional Theory Orbitals, 152, 244105, Journal of Chemical Physics, 2020
  • 10 Manna, S., Sinha Ray, S., Ghos, P., Chattopadhyay, S., Structural properties and isomerization of simple S-nitrosothiols: Ab initio studies with a simplified treatment of correlation effects, 118, e1641639., Molecular Physics, 2020
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    Research Areas


    • Electronic Structure Theory (Relativistic and Nonrelativistic)
    • Chemical Dynamics in Condensed Phases
    • Systems Biology

    Publications


  • 1 Nandi M., Chattopadhyay, S., Bandyopadhyay, S., and Banik, S. K., Channel assisted noise propagation in a two-step cascade, Chaos [Special issue (Focus): Anomalous Diffusion and Fluctuations in Complex Systems and Networks], 2024
  • 2 Chaudhuri, R. K. and Chattopadhyay, S.,, Geometrical structure and stability of buckminsterfullerene complexes containing mono- and poly-atomic molecules, 135, 69, Journal of Chemical Sciences (Invited Article, Special Issue on Interplay of Structure and Dynamics in Reaction Pathways, Chemical Reactivity and Biological Systems), 2023
  • 3 Roy, T. S., Nandi, M. Chattopadhyay, S. and Banik, S. K., Inter-play of degeneracy and non-degeneracy in fluctuations propagation in coherent feed-forward loop motif, 093502, J. Stats. Mech., 2023
  • 4 Chaudhuri, R. K. and Chattopadhyay, S., Theoretical investigations of electronic spectra of silver atom using all-electron scalar relativistic basis, 12, 125019, AIP Advances, 2022
  • 5 Chattopadhyay, S., Single-Root Multireference Brillouin-Wigner Perturbative Approach to Excitation Energies, 6, 1668-1686, ACS Omega, 2021 6 Chaudhuri, R. K. and Chattopadhyay, S., Description of the Methylene Amidogene Radical and Its Anion with an Economical Treatment of Correlation Effects Using Density Functional Theory Orbitals, 125, 543-558, Journal of Physical Chemistry A, 2021 7 Chaudhuri, R. K. and Chattopadhyay, S., A Fock space coupled cluster based probing of the single- and double-ionization profiles for the poly-cyclic aromatic hydrocarbons and conjugated polyenes, 154, 114106, Journal of Chemical Physics, 2021 8 Sharma, A., Chattopadhyay, S., and Sinha, D., Exploring the spectroscopic constants of 2u , 2u Main and Satellite, and 2g and  states of N2+  ion through the window of eigenvalue independent partitioning: A Fock space coupled cluster approach [SPECIAL ISSUE IN HONOUR OF JÜRGEN GAUSS], 118, e1774673, Molecular Physics, 2020 9 Manna, S., Chaudhuri, R. K. and Chattopadhyay, S., Taming the Excited States of Butadiene, Hexatriene and Octatetraene using State Specific Multireference Perturbation Theory with Density Functional Theory Orbitals, 152, 244105, Journal of Chemical Physics, 2020 10 Manna, S., Sinha Ray, S., Ghos, P., Chattopadhyay, S., Structural properties and isomerization of simple S-nitrosothiols: Ab initio studies with a simplified treatment of correlation effects, 118, e1641639., Molecular Physics, 2020 11 Chattopadhyay, S, Investigation of Multiple Bond Dissociation Using Brillouin-Wigner Perturbation with Improved Virtual Orbitals, 124.7, 1444-1463, Journal of Physical Chemistry A, 2020 12 Das, J., Mapder, T., Chattopadhyay, S., Banik. S. K.,, Parameter sensitivity in DevR regulated gene expression, 15.2, e0228967, PLOS ONE, 2020 13 Manna, S., Sinha Ray, S., Ghos, P., Chattopadhyay, S. Chaudhuri, R. K.,, A simplified account of the correlation effects to bond breaking processes: The Brillouin-Wigner perturbation theory using a multireference formulation, 151, 064114, Journal of Chemical Physics, 2019 14 Chaudhuri, R. K., and Chattopadhyay, S., Fock-space multireference coupled cluster calculations of Auger energies of noble gas elements using relativistic spinors, 151, 074114, Journal of Chemical Physics, 2019 15 Chattopadhyay, S, Simplified Treatment of Electronic Structures of the Lowest Singlet and Triplet States of Didehydropyrazines, 123, 5980-5994, Journal of Physical Chemistry A, 2019 16 Sinha Ray, S.; Manna, S.; Ghosh, A.; Chaudhuri, R. K.; Chattopadhyay, S., Multireference perturbation theory with improved virtual orbitals for multiradicals: More degeneracies, more problems, 119, e25776, International Journal of Quantum Chemistry, 2019 17 Chattopadhyay, S, Ab Initio Probing of the Ground State of Tetraradicals: Breakdown of Hund's Multiplicity Rule, 123, 2211-2226, Journal of Physical Chemistry A, 2019 18 Chattopadhyay, S. (2018), The effect of substituents on energy splitting in organic radicals : Quantitative cognizance from ab initio studies, 513, 230–240, Chemical Physics, 2018 19 Chattopadhyay, S., Description of quasidegenerate electronic states exhibiting avoided crossing, 116, 2343–2363, Molecular Physics, 2018 20 Manna, S., Sinha Ray, S., Ghosh, P., Chattopadhyay, S., On the conversion XCN - XNC via an efficient and economic perturbative wavefunction approach, 116, 2147–2161, Molecular Physics, 2018 21 Chaudhuri, S. K., Mukherjee, P. Chaudhuri R. K., and Chattopadhyay, S., “Equation of motion approach for describing allowed transitions in Ne and Al3+ under classical and quantum plasmas”, 25, 042705, Physics of Plasma, 2018 22 Chaudhuri, S. K., Chaudhuri, R. K., Mukherjee, P. and Chattopadhyay, S., A confinement induced spectroscopic study of noble gas atoms using equation of motion architecture: Encapsulation within fullerene's voids, 147, 034111., Journal of Chemical Physics, 2017 23 Sinha Ray, S., Ghosh, P., Chaudhuri, R. K., and Chattopadhyay, S., Improved virtual orbitals in state specific multireference perturbation theory for prototypes of quasidegenerate electronic structure, 146, 06411, Journal of Chemical Physics, 2017 24 Sinha Ray, S., Manna, S., Chaudhuri, R. K., and Chattopadhyay, S., Description of C2 dissociation using a naive treatment of dynamical correlation in the presence of quasidegeneracy of varying degree, 115, 2789-2806, Molecular Physics, 2017 25 Sinha Ray, S., Chaudhuri, R. K., and Chattopadhyay, S., Communication: Viewing the ground and excited electronic structures of platinum and its ion through the window of relativistic coupled cluster method, 146, 011102 (1-5), Journal of Chemical Physics, 2017 26 Sinha Ray, S., Anirban Ghosh, A., Shit, A., Chaudhuri, R. K. and Chattopadhyay, S., A simplified ab initio treatment of diradicaloid structures produced from stretching and breaking chemical bonds, 19, 22282, Physical Chemistry Chemical Physics, 2017 27 Ghosh. A., Sinha Ray, S., Chaudhuri, R. K., and Chattopadhyay, S., Four-Component Relativistic State-Specific Multireference Perturbation Theory with a Simplified Treatment of Static Correlation, 121, 1487-1501, Journal of Physical Chemistry A (Special Issue “Mark S. Gordon Festschrift”), 2017 28 Sinha Ray. S., Sinha Mahapatra, U., Chaudhuri, R. K. and Chattopadhyay, S., Combined complete active space configuration interaction and perturbation theory applied to conformational energy prototypes: Rotation and inversion barriers, 1120, 56-78, Computational and Theoretical Chemistry, 2017 29 Ghosh, A., Chaudhuri, R. K., and Chattopadhyay, S., Relativistic state specific multireference coupled cluster theory description for bond breaking energy surfaces, 145, 124303 (1-15), Journal of Chemical Physics, 2016 30 Sinha Ray, S., Ghosh, A.,Chaudhuri, R. K., and Chattopadhyay, S., Taming the Electronic Structure of Diradicals Through the Window of Computationally Cost Effective Multireference Perturbation Theory, 120, 5897-5916, Journal of Physical Chemistry A, 2016 31 Banerjee, D.,Mondal, M., Chattopadhyay, S.,and Mahapatra, U. S., A state-specific multireference coupled cluster approach with a cost effective treatment of connected triples: Implementation to geometry optimization”, 114, 1591-1608., Molecular Physics, 2016 32 Chattopadhyay, S.,Chaudhuri, R. K., Mahapatra, U. S., Ghosh, A., and Sinha Ray, S.(2016), State-specific multireference perturbation theory: Development and present status, 266–291, WIREs Computational Molecular Science (Invited Advanced Review Article)., 2016 33 Mapder, T., Talukdar, S., Chattopadhyay, S., and Banik, S., Deciphering parameter sensitivity in the BvgAS signal transduction, 11(1), e0147281, PLoS ONE, 2015 34 Sarkar, P., Shit, A., Chattopadhyay, S., and Banik, S., Profiling the overdamped dynamics of a nonadiabatic system, 458, 86–91, Chemical Physics, 2015 35 Ghosh, A., Chaudhuri, R. K., Chattopadhyay, S. and Mahapatra, U. S., Relativistic state-specific multireference perturbation theory incorporating improved virtual orbitals: Application to theground state single-bond dissociation, 36, 1954-1972, Journal of Computational Chemistry, 2015 36 Sharma, A., Chattopadhyay, S., Adhikari, K., and Sinha, D., Spectroscopic constants relating to ionization from the strongest bonding and inner valence molecular orbital 2 Sigma of N2 : An EIP-VUMRCC search, 634, 88–94, Chemical Physics Letters, 2015 37 Mahapatra, U. S., Banerjee, D., Chaudhuri, R. K., and Chattopadhyay, S., Profiling the binding motif between Be and Mg in the ground state via a single-reference coupled cluster method, 113, 1387-1395, Molecular Physics, 2015 38 Chattopadhyay, S.,Chaudhuri, R. K., and Mahapatra, U. S., State-specific multireference perturbation theory with improved virtual orbitals: Revisiting the ground state of F2, Be2, and N2, 36, 907-925., Journal Computational Chemistry, 2015 39 Sarkar, P., Maity, K. A., Shit, A., Chattopadhyay, S.,  Banik, S. K.,andRay Chaudhuri, J., Controlling mobility via rapidly oscillating time-periodic stimulus, 602, 4, Chemical Physics Letters, 2014 40 Shit, A., Chattopadhyay, S. andRay Chaudhuri, J., Taming the escape dynamics of nonadiabatic time-periodically driven quantum dissipative system within the frame of Wigner formalism, 431, 26-38, Chemical Physics, 2014 41 Banerjee, D. Ghosh., A. Chattopadhyay, S., Ghosh, P. and Chaudhuri, R. K, Reinvestigating the ``cis-effect, 112, 3206-3224, Molecular Physics, 2014 42 Chattopadhyay, S., Mahapatra, U. S. and Chaudhuri, R. K, Dissociation of homonuclear diatomic halogens via Multireference coupled cluster study, 112, 2720-2736, Molecular Physics, 2014
  • 43 Mahapatra, U. S and Chattopadhyay, S, Binding in Beryllium Dimer: Contingent on the effects of electron correlations, Science Journal, MAC, 2014
  • 44 Maity, A. K.,Bandyopadhyay, A., Chattopadhyay, S., Ray Chaudhuri, J. Metzler, R., Chaudhuri, P. and Banik, S. K., Quantification of noise in bi-functionality induced post-translational modification, 88, 032716, Physical Review E, 2013 45 Shit, A., Chattopadhyay, S. and Ray Chaudhuri, J, Kapitza-Landau time window for a periodically driven system with friction: A system-bath Hamiltonian approach, 86, 23, European Physical Journal B, 2013 46 Chaudhuri, R. K., Chattopadhyay, S., and Mahapatra, U. S, Reappraisal of nuclear quadrupole moments of atomic halogens via relativistic coupled cluster linear response theory for the ionized process, 117, 12616, Journal of Physical Chemistry A, 2013 47 K. Adhikari, S. Chattopadhyay, B. K. De, A. Sharma, R. K. Nath,and D. Sinha, Search of truncation of (N-1) electron basis containing full connected triple excitations in computing main and satellite ionization potentials via Fock space coupled cluster approach, 34, 1291, Journal of Computational Chemistry, 2013 48 Shit, A., Chattopadhyay, S. andRay Chaudhuri, J., Quantum stochastic dynamics in presence of a time-periodic rapidly oscillating potential: Nonadiabatic escape rate, 117, 8576, Journal of Physical Chemistry A, Invited Article in Special Issue: “Structure and Dynamics: ESDMC-2013, 2013 49 Chaudhuri, R. K.Chattopadhyay, S., andMahapatra, U. S, Taming the electronic structure of lead and eka-lead (Flerovium) by the relativistic coupled-cluster method, 117, 8555, Journal of Physical Chemistry A, Invited Article in Special Issue: “Structure and Dynamics: ESDMC-2013”, 2013 50 Chaudhuri, R. K., Chattopadhyay, S., Freed K. F., U. S. Mahapatra, Theoretical studies of the ground and excited state structures of stilbene, 117, 9424, Journal of Physical Chemistry A Invited Article in Special Issue: “Oka Festschrift: Celebrating 45 Years of Astrochemistry”, 2013 51 Shit, A., Chattopadhyay, S. and Ray Chaudhuri, J., Controlling activated processes of nonadiabatically, periodically driven dynamical systems: A multiple scale perturbation approach, 136, 234506, Journal of Chemical Physics, 2012 52 Shit, A., Chattopadhyay, S. and Ray Chaudhuri, J, Kramers turnover in class of thermodynamically open systems: Effect of interplay of nonlinearity and noises, 543, 173, Chemical Physics Letters, 2012 53 Shit, A., Chattopadhyay, S. and Ray Chaudhuri, J, Escape rate for a quantum particle moving in a time periodic rapidly oscillating potential: A time independent approach, 85, 051102, Physical Review E, 2012 54 Ghosh P, Chattopadhyay, S., and Ray Chaudhuri, J, Enhancement of current commensurate with mutual noise-noise correlation in a symmetric periodic substrate: The benefits of noise and nonlinearity, 402, 48-55, Chem. Phys. 402, 2012 55 Shit, A., Chattopadhyay, S. and Ray Chaudhuri, J, Quantum escape in the presence of time-periodic oscillating force, 97, 40006, Europhysics Letters, 2012 56 Shit, A., Chattopadhyay, S. and Ray Chaudhuri, J, Enhancement of Transport Properties of a Brownian Particle due to Quantum Effects: Smoluchowski limit, 397, 48-54, Chemical Physics, 2012 57 Chaudhuri, R. K., Chattopadhyay, S., Freed K. F., U. S. Mahapatra, Spectral lines behavior of Be I and Na I isoelectronic sequence in Debye plasma environment, 19, 082701, Physics of Plasmas, 2012 58 Chaudhuri, R. K., Chattopadhyay, S., Freed K. F., U. S. Mahapatra, Theoretical aids in screening candidates for atomic clocks: illustration for Yb II, 98, 23002, EuroPhysicsLett, 2012 59 Das, M.,Chaudhuri, R. K., Chattopadhyay, S., and Mahapatra, U. S, Application of relativistic Fock space coupled cluster theory to study   Li and Li-like ions in plasma, 85, 042506, Phys. Rev. A, 2012 60 Mahapatra, U. S and Chattopadhyay, S, Diagnosis of the performance of the state-specific multireference coupled-cluster method with different truncation schemes, 33, 1285-1303, Journal of Computational Chemistry, 2012 61 Chattopadhyay, S., Mahapatra, U. S. and Chaudhuri, R. K, State specific complete active space multireference Møller-Plesset perturbation approach for multireference situations: Illustrating the bond breaking in hydrogen halides, 131, 1213, Theoretical Chemistry Accounts, 2012 62 Mahapatra, U. S and Chattopadhyay, S, Single reference coupled cluster calculations for weakly bound alkaline-earth dimers in the ground state: a useful perturbative scheme for an iterative triples correction, 110, 75-83, Molecular Physics, 2012 63 Shit, A., Chattopadhyay, S. andRay Chaudhuri, J., Time-independent description of rapidly driven systems in the presence of friction: Multiple scale perturbation approach, Chaos 22, 013131., 2012 64 Chattopadhyay, S., Mahapatra, U. S. and Chaudhuri, R. K, State specific multireferenceMøller--Plesset perturbation theory: A few applications to ground, excited and ionized states, Chem. Phys.401, 15. Invited Article for Special Issue on “Recent advances in electron correlation methods and applications, 2012 65 Bhattacharya, S., Chattopadhyay, S., Chaudhury, P., and Ray Chaudhuri, J, Phase induced transport of a Brownian particle in a periodic potential in the presence of an external noise: A semiclassical treatment, 52, 073302, Journal of Mathematical Physics, 2011 66 Shit, A., Chattopadhyay, S. and Ray Chaudhuri, J, Towards an understanding of escape rate and state dependent diffusion for a quantum dissipative system, 386, 56-72, Chemical Physics, 2011 67 Shit, A., Bhattacharya, S., Chattopadhyay, S., and Ray Chaudhuri, J, A semi-classical approach to study multiplicative noise induced rate processes from a metastable state, 390, 2880-2894, Physica A, 2011 68 Shit, A., Ghosh, P.,Chattopadhyay, S.,and Ray Chaudhuri, J, Development of a semiclassical methodto compute mobility and diffusion coefficient of Brownian particle in a nonequilibrium environment, 83, 031125, Physical Review E, 2011 69 Ghosh, P., Shit, A.,Chattopadhyay, S., and Ray Chaudhuri, J, A microscopic model for noise induced transport: Heat bath nonlinearly driven by external white noise, 21, 013117, Chaos, 2011 70 Ghosh, P., Shit, A., Chattopadhyay, S., and Ray Chaudhuri, J, A semiclassical approach to explore the bistable kinetics investigation of a Brownian particle in a nonequilibrium environment, P02026, Journal of Statistical Mechanics: Theory and Experiment, 2011 71 Das, M.,Chaudhuri, R. K., Chattopadhyay, S., and Mahapatra, U. S, Fock space multireference coupled cluster calculations of the hyperfine structure of iso-electronic 33 S ? and 35 , 37 Cl, 84, 042512, Physical Review A, 2011 72 Chattopadhyay, S., Chaudhuri, R. K., and Mahapatra, U. S, Ab initio multireference investigation of disjoint diradicals: Singlet versus triplet ground states, 12, 2791, ChemPhysChem, 2011 73 Chaudhuri, R. K., Chattopadhyay, S., K. F. Freed,andMahapatra, U. S., Application of an efficient multireference approach to free-baseporphin and metalloporphyrins: Ground, excited, and positive ion states, 135, 084118, Journal of Chemical Physics, 2011 74 Das, M.,Chaudhuri, R. K., Chattopadhyay, S., Mahapatra, U. S. and Mukherjee, P. K, Application of relativistic coupled cluster linear response theory to helium likeions embedded in plasma environment, 44, 165701, Journal of Physics B: Atomic, Molecular and Optical Physics, 2011 75 Mahapatra, U. S and Chattopadhyay, S., Application of the uncoupled state-specific multireference coupled cluster (UC-SSMRCC) method to a weakly bonded system: exploring the ground state Be2, 44, 105102, Journal of Physics B: Atomic, Molecular and Optical Physics, 2011 76 Das, M.,Chaudhuri, R. K., Chattopadhyay, S., and Mahapatra, U. S, Valence universal multireference coupled cluster calculations of the properties of Indium in its ground and excited states, 44, 065003, Journal of Physics B: Atomic, Molecular and Optical Physics, 2011 77 Chattopadhyay, S., Chaudhurib R. K.  and Freed R. K, Prediction of electronic structure of organic radicaloid anions using efficient, economical multireference gradient approach, 13, 7514, Physical Chemistry Chemical Physics, 2011 78 Mahapatra, U. S and Chattopadhyay, S, Evaluation of the performance of single root multireference coupled cluster (sr-MRCC) method for ground and excited states, and its application to geometry optimization, 134, 044113, Journal of Chemical Physics, 2011 79 Mahapatra, U. S., Chattopadhyay, S. and Chaudhuri, R. K, Second-order state-specific multireferenceMøller–Plesset perturbation theory (SS-MRMPPT): Application to energy surfaces of diimide, ethylene, butadiene and cyclobutadiene, 32, 325, Journal of Computational Chemistry, 2011 80 Shit, A., Chattopadhyay, S. andRay Chaudhuri, J., Effective quantum Brownian dynamics in presence of a rapidly oscillating space-dependent time-periodic field, Physical Review E (Rapid Communication) 83060101(R), 2011 81 Chattopadhyay, S., Chaudhuri, R. K. and Freed, K, Geometry optimization of radicaloid systems using improved virtual orbital-complete active space configuration interaction (IVO-CASCI) analytical gradient method, 115, 3665, Journal of Physical Chemistry A (Invited Article, Part of the “Graham R. Fleming Festschrift” Issue.)., 2011 82 Ghosh. P., Shit, A., Chattopadhyay, S. and Ray Chaudhuri, J, External noise driven bath and the generalized semi-classical Kramers theory, 82, 041113, Physical Review E, 2010 83 Shit, A., Chattopadhyay, S. Banik, S. K. and Ray Chaudhuri, J, Microscopic realization of cross-correlated noise processes, 20, 023130, CHAOS, 2010 84 Ghosh, P., Shit, A., Chattopadhyay, S. andRay Chaudhuri, J, Realization of a Brownian engine to study transport phenomena: A semiclassical approach, 81, 061112, Physical Review E, 2010 85 Ghosh, P., Shit, A., Chattopadhyay, S. and Ray Chaudhuri, J, Escape of a driven particle from a metastable state: A semiclassical approach, 132, 244506, Journal of Chemical Physics, 2010 86 Shit, A., Chattopadhyay, S.Banik, S. K. and Ray Chaudhuri, J, Generalized Einstein relation in tilted periodic potential: A Semiclassical approach, 114, 7854-7863, Journal of Physical Chemistry B, 2010 87 Ghosh. P., Chattopadhyay, S. and Ray Chaudhuri, J, Stochastic resonance in a generalized quantum Kubo Oscillator, 114, 1368-1379, Journal of Physical Chemistry B, 2010
  • 88 Ray Chaudhuri, J. and Chattopadhyay, S, Kubo Oscillator and its Application to Stochastic Resonance: a Microscopic Realization” in “Recent Advances in Spectroscopy: Astrophysical, Theoretical and Experimental Perspective, Springer, Heidelberg, 2010
  • 89 Mahapatra, U. S. and Chattopadhyay, S., Potential energy surface studies via a single root multireference coupled cluster theory, 133, 074102, Journal of Chemical Physics, 2010 90 Chattopadhyay, S., Chaudhuri, R. K. and Mahapatra, U. S, Studies on m-benzyne and phenol via improved virtual orbital complete active space configuration interaction (IVO-CASCI)  analytical gradient method, 491, 102-108, Chemical Physics Letters, 2010 91 Chattopadhyay, S., Mahapatra, U. S. and Chaudhuri, R. K., Study of equilibrium geometries of diradicaloid systems via state specific multireference Møller-Plesset perturbation theory (SS-MRMPPT), 488, 229-234, Chemical Physics Letters, 2010 92 Mahapatra, U. S., Chattopadhyay, S. and Chaudhuri, R. K, Second-Order State-Specific Multireference Møller-Plesset Perturbation Theory (SS-MRMPPT) Applied to Geometry Optimization, 114, 3668-3682, Journal of Physical Chemistry A, 2010 93 Mahapatra, U. S., Chattopadhyay, S. and Chaudhuri, R. K, Study of the ground state dissociation of diatomic molecular systems using state-specific multireference perturbation theory: A Brillouin-Wigner scheme, 6, 662-682, Journal of Chemical Theory and Computation, 2010 94 Chaudhuri, R. K., Chattopadhyay, S., Mahapatra, U. S. and Freed, K, Molecular applications of analytical gradient approach for the improved virtual orbital-complete active space configuration interaction method, 132, 034105, Journal of Chemical Physics, 2010
  • 95 Mahapatra, U. S. and Chattopadhyay, S., State specific calculation of dissociation potential energy curve using multireference perturbation theory” in “Recent Advances in Spectroscopy: Astrophysical, Theoretical and Experimental Perspective, Springer, Heidelberg, 2010
  • 96 Bhattacharya, S., Chaudhuri, P., Chattopadhyay, S and Ray Chaudhuri, J, Quantum transport in a periodic symmetric potential of a driven quantum system, 80, 041127, Physical Review E, 2009 97 Ray Chaudhuri, J. and Chattopadhyay, S, Microscopic realization of Kubo Oscillator, 480, 140-143, Chemical Physics Letters, 2009 98 Bhattacharya, S. Chattopadhyay, S and Ray Chaudhuri, J., Investigation of noise- induced escape rate: A quantum mechanical   approach, 136, 733-750, Journal of Statistical Physics volume, 2009 99 Ray Chaudhuri, J, Chaudhuri, P. and Chattopadhyay, S, Harmonic Oscillator in Presence of Non-equilibrium Environment, 130, 234109, Journal of Chemical Physics, 2009 100 Adhikari, K., Chattopadhyay, S., Nath, R. K., De, B. K. and Sinha. D., Effect of three body transformed Hamiltonian ( 3T) through full connected triples on main and satellite ionization potentials computed by valence universal EIP-MRCC method, 474, 199-206, Chemical Physics Letters, 2009 101 Chattopadhyay, S. Mahapatra, U. S. and Chaudhuri, R. K, Investigation of low-lying states of oxygen via second order multi-reference perturbation theory: A state-specific approach, 113, 5972, Journal of Physical Chemistry A, 2009 102 Ray Chaudhuri, J, Banik, S. K., Chattopadhyay, S. andChaudhuri, P, Transport and bistable kinetics of a Brownian particle in a nonequilibrium environment, 49, 113303, Journal of Mathematical Physics, 2008 103 Chaudhuri, P. Mukherjee, B. Chattopadhyay, S. and Ray Chaudhuri, J, Effect of correlated noises on directed motion, 10, 6097-6103, Physical Chemistry Chemical Physics, 2008 104 Bhattacharya, S., Chaudhuri, P. Chattopadhyay, S. and Ray Chaudhuri, J, Phase induced current in presence of non-equilibrium bath: A quantum approach, 129, 124708, Journal of Chemical Physics, 2008 105 Bhattacharya, S., Chaudhuri, P. Chattopadhyay, S. and Ray Chaudhuri, J., Directed motion in a periodic potential of a quantum system coupled to a heat bath driven by a colored noise, 78, 021123, Physical Review E, 2008 106 Bhattacharya, S., Banik, S. K., Chattopadhyay, S. and Ray Chaudhuri, J, Time dependent current in a nonstationary environment: A microscopic approach, 49, 063302., Journal of Mathematical Physics, 2008 107 Ray Chaudhuri, J., Chattopadhyay, S. and Banik, S. K., Multiplicative correlated noise induced escape rate from a metastable state, 128, 154513, Journal of Chemical Physics, 2008 108 Chattopadhyay, S., Chaudhuri, R. K. and Mahapatra, U. S, Application of improved virtual orbital based multireference methods to N2, LiF, and C4H6 systems, 130, 014101, Journal of Chemical Physics, 2008 109 Mahapatra, U. S, Chattopadhyay, S. and Chaudhuri, R. K, Application of state-specific multi-reference Møller-Plesset perturbation theory to nonsinglet states, 129, 244108, Journal of Chemical Physics, 2008 110 Chaudhuri, R. K., Hammond J., Freed, K. Chattopadhyay, S. and Mahapatra, U. S, Reappraisal of cis effect in 1,2-dihaloethenes: An improved virtual orbital (IVO)   multi-reference approach, 129, 064101, Journal of Chemical Physics, 2008 111 Mahapatra, U. S, Chattopadhyay, S. and Chaudhuri, R. K, Molecular applications of state-specific multi-reference perturbation theory to HF, H2S, C2 and N2, 129, 024108, Journal of Chemical Physics, 2008 112 Chaudhuri, R. K., Freed, K. Chattopadhyay, S.,  and Mahapatra, U. S, Potential energy curve for isomerization of N2H2 and C2H4 using the improved virtual orbital multireference Møller–Plesset perturbation theory, 128, 144304, Journal of Chemical Physics, 2008 113 Ray Chaudhuri, J., Chattopadhyay, S. and Banik, S. K, Simple model for transport phenomena: Microscopic construction of Maxwell Demon like engine, 127, 224508, Journal of Chemical Physics, 2007 114 Ray Chaudhuri, J., Chattopadhyay, S. and Banik, S. K, Generalization of escape rate from a metastable state driven by external cross-correlated noise processes, 76, 021125-8, Physical Review E, 2007
  • 115 Chattopadhyay, S., Mahapatra, U. S.and Chaudhuri R. K, Study of isolated 1:1 Al+3.He complex using many-body perturbation theory: A multi-reference approach, 81, 1023-1037, Indian Journal of Physics, 2007
  • 116 Chattopadhyay, S. and Mukhopadhyay, D, Applications of Linear Response Theories to Compute the Low-lying Potential Energy Surfaces: State-specific MRCEPA-based Approach, 40, 1787–1799, Journal of Physics B: Atomic, Molecular and Optical Physics, 2007 117 Chattopadhyay, S., Mitra, A. and Sinha, D, An Explicitly Intruder Free Valence-Universal Multi-reference Coupled Cluster (VUMRCC) Theory as Applied to Ionization Spectroscopy, 125, 244111-17, Journal of Chemical Physics, 2006 118 Nayak, M. K., Chaudhuri R. K., Chattopadhyay, S. and Mahapatra, U. S, Core and Core-valence Extensive Coupled Cluster Theory and its Applications, 768, 133-140, Journal of Molecular Structure: THEOCHEM, 2006 119 Pahari, D., Ghosh, P., Mukherjee, D. and Chattopadhyay, S, Towards the Development and Applications of Manifestly Spin-free Multi-reference Coupled Electron-pair Approximation (MRCEPA) like Methods: A State Specific Approach, 116, 621-636, Theoretical Chemistry Accounts, 2006 120 Bera N., Ghosh S., Mukherjee D. and Chattopadhyay S, Reappraisal of the Role of Size-extensive Normalization for Multi-reference Coupled-Cluster (MRCC) Theory using General Model Space: A Valence Universal MRCC Approach, 109, 11462-11469, Journal of Physical Chemistry A, 2005 121 Chaudhuri, R. K., Freed, K. F., Hose, G., Piecuch, P., Chattopadhyay, S., Mukherjee, D.,Rolik, Z., Szabados, A. and Surjan, P. R, Comparison of Low Order Multireference Many-body Perturbation Theories, 122, 134105-9, Journal of Chemical Physics, 2005 122 Chattopadhyay, S., Ghosh, P., and Mahapatra, U. S., Applications of Size-consistent State-specific Multireference Coupled Cluster (SS-MRCC) Theory to Study the Potential Energy Curves of Some Interesting Molecular Systems, 37, 495-510, Journal of Physics B: Atomic, Molecular and Optical Physics, 2004 123 Chattopadhyay, S. and Mahapatra, U. S., Molecular Applications of State-specific Multi-reference Coupled Electron-pair Approximation (SS-MRCEPA)-like Method, 108, 11664-11678, Journal of Physical Chemistry A, 2004 124 Chattopadhyay, S., Numerically Oriented Static Response Approach Based on State-specific Multi-reference Coupled Electron-pair Approximation (SS-MRCEPA) like Methods, 37, 1783-1801, Journal of Physics B: Atomic, Molecular and Optical Physics, 2004 125 Pahari, D., Chattopadhyay, S., Deb, A. and Mukherjee, D, An Orbital invariant Coupled Electron-pair like Approximant to a State-specific Multi-reference Coupled Cluster Formalism, 386, 307-312, Chemical Physics Letters, 2004 126 Chattopadhyay, S., Pahari, D., Mahapatra, U. S. and Mukherjee, D, A   State-specific Approach to Multi-reference Coupled Electron-pair Approximation like Methods: Development and Applications, 120, 5968-5986, Journal of Chemical Physics, 2004 127 Pahari, D., Chattopadhyay, S., Das, S. and Mukherjee, D, Size extensive State-specific Multireference Many-body Approach using Incomplete Model Spaces, 381, 223-229, Chemical Physics Letters, 2003 128 Ghosh, P., Chattopadhyay, S., Jana, D. and Mukherjee, D, State-specific Multi-reference Perturbation Theories with Relaxed Coefficients: Molecular Applications, 3, 733-754, International Journal of Molecular Sciences, 2002 129 Chattopadhyay, S., Mitra, A., Jana, D., Ghosh, P. and Sinha, D, Full Effects of Triples in a Valence Universal Multi-reference Coupled Cluster Calculations, 361, 298-306, Chemical Physics Letters, 2002 130 Chattopadhyay, S., Mahapatra, U. S., Datta, B. and Mukherjee, D, State-specific Multireference Coupled Electron-pair Approximation Like Methods: Formulation and Molecular Applications, 357, 426, Chemical Physics Letters, 2002
  • 131 Chattopadhyay, S., Mahapatra, U. S., Ghosh, P. and Mukherjee, D, State-specific Multi-reference Coupled-cluster Based Methods for PES and their Approximate Variants, 109-152, in Low-Lying Potential Energy Surfaces, M. R. Hoffmann and K. G. Dyall Eds (ACS Symposium Series No. 828, Washington, DC), 2002
  • 132 Chattopadhyay, S., Mahapatra, U. S. and Mukherjee, D, Linear Response Theories for Excited State Energies for Systems with Strongly Correlated Ground State, 39, 1-8, Indian Journal of Chemistry A (Special Issue on Contemporary Theoretical Chemistry Research in India), 2000
  • 133 Chattopadhyay, S., Mahapatra, U. S. and Mukherjee, D, Development of a Linear Response Theory Based on a State-specific Multireference Coupled Cluster Formalism, 112, 7939-7952, Journal of Chemical Physics, 2000 134 Chattopadhyay, S., Mahapatra, U. S. and Mukherjee, D, Property Calculations using Perturbed Orbitals via State-specific Multireference Coupled Cluster and Perturbation Theories, 111, 3820-3831, Journal of Chemical Physics, 1999
  • 1 Mohan, P. Mangalam, A. Chattopadhyay, S . J. H. Fan, Y. Liu, A. C. Gupta, & Z. Q. Shen., Parametric models of the periodogram, J. Astrophysics & Astronomy, Special Issue (Proceedings of a meeting entitled “Variability of Blazars: From Jansky to Fermi” held in Guangzhou, China, December 14–16, 2012), 2014
  • 1 Shit, A. and Chattopadhyay, S., Coupled-Cluster Methods for Modeling Multireference Chemistry: Recent Developments, Advances in Chemistry Research (Nova Science Publishers, Inc. USA), 2023
  • 2 Chattopadhyay, S., Perturbative Account of Electron Correlation Effects in the Internal Rotational Barrier of Molecules: A State Specific Strategy, [Invited Article, Chapter, NOVA Science Publisher, USA]., 2020
  • 3 R. K. Chaudhuri and S. Chattopadhyay, Many-body Methods for Atoms and Molecules, CRC-Press: Taylor & Francis Group, 2016, 2016
  • 4 Chattopadhyay, S., Pahari, D., Mahapatra, U. S. and Mukherjee, D, Computation of Excited States Potential Energy Surface via Linear Response Theories based on State-specific Multi-reference Coupled Electron-pair Approximation like Methods, Computational Chemistry: Reviews of Current Trends, Ed. J. Leszcynski (World Scientific, Singapore, New Jersey)121-151, , 2005
  • 5 Pahari, D., Chattopadhyay, S., Das, S., Mukherjee, D. and Mahapatra U. S, Size-consistent State-specific Multi-reference Methods: A Survey of Some Recent Developments, Theory and Applications of Computational Chemistry: The First 40 Years, Ed. C. F. Dykstra, et. al (Elsevier)581-633, , 2005
  • 6 Chattopadhyay, S., Mahapatra, U. S. and Mukherjee, D ,Ed. K. Hirao, Response Theories Based on a State-specific Multireference Coupled Cluster Formalism, Recent Advances in Multireference Methods (World Scientific, Singapore)65-93, , 1999
  • Patents


    # Patents Year

    Member


    American Chemical Society

    Member

    Indian Chemical Society

    Life Member

    Chemical Research Scoiety of India

    Life Member

    Member, Indain Association for the Cultivation of Science

    Life Member

    Responsibilities


    Chairman, Grievance Redressal Cell, IIEST Shibpur
    From 7th February 2024 to present
    HEAD, Centre for Health Care Science and Technology
    From 17th January, 2024 to present
    HEAD, School of Community Science and Technology (SOCSAT)
    15th July 2023 to 16th January 2024
    Institute Coordinate (IC), Shodhganga IIESTS
    July 2022 to ongoing
    Member of Editorial Board of Frontiers in Chemistry (Specialty section: Theoretical and Computational Chemistry)
    September 2021-
    Head of the Department (Chemistry)
    18.12.2019 -17.12.2021
    Associate Dean (Academic)
    From March 2015- May 2018
    Convener, Committee for Central Facility of High-End Computing
    From 2019
    Coordinator QIP-CEP Cell
    From 2015- Present
    Centre In-charge (M. Sc Admission and CCMN)
    2015-2018
    Chairman of Library Advisory Committee, IIEST Shibpur
    From 2018- Present

    Projects


    • Development and application of cost effective ab initio methods for strongly correlated electrons: A challenge for electronic structure theory, Sponsored
      Completed
    • Study of Dissipative Dynamics to Investigate the Transport Problem : Effects of Velocity Dependent Coupling, Sponsored
      Completed
    • Development and Applications of Intruder Free Multi-reference Perturbative and Non-perturbative Formalisms, Sponsored
      Completed
    • Development and applications of theoretical models to study anisotropic diffusion and transport phenomena in some complex systems, Sponsored
      Completed
    • Relativistic study of the excited/ionized states of heavy atoms using coupled cluster based linear response theory, Sponsored
      Completed
    • Profiling the electronic structure properties of relativistic and non-relativistic systems using computationally cost effective ab initio methods, Sponsored
      Completed
    • Development and Application of the Theoryof Dynamical Systems to Problems inCondensed Phases, Sponsored
      Completed

    Awards


    • Bardhaman Sammilani Medal for securing First Class First Position in M. Sc. (Chemistry) Examination, Year: 1994
    • University Gold Medal for securing First Class First Position in M. Sc.(Chemistry) Examination, University of Burdwan, Year: 1994
    • National Merit Scholarship (B.Sc) Department of Education, Ministry of Human Resource Development, Government of India, Year: 1992
    • Dr. Mrigendranath Ghosh Medal for securing First Class First Position in B. Sc. Hons (Chemistry) Examination, Year: 1992
    • Young Faculty Research Award, GAABESU, Washington, DC, Year: 2014

    Research Groups


    Dr. Jagannath Das
    Ph. D.
    9679032072
    dasjagannath1991@yahoo.com

    Dr. Shovan Manna
    Ph. D.
    8335031417
    shvnmanna@gmail.com

    Dr. Suvonil Sinha Ray
    Ph. D.
    sinharay.suvonil@gmail.com

    Dr. Anirban Ghosh
    Ph. D.
    anirban.ghosh1408@gmail.com

    Dr. Prasun Sarkar
    Ph. D.
    prasuns25@gmail.com

    Dr. Tarunendu Mapder
    Ph. D.
    mtarunendu@yahoo.com

    Dr. Prasanth Mohan
    Ph. D.
    prash.mr@gmail.com

    Dr. Anindita Shit
    Ph. D.
    anindita.besu@gmail.com

    Dr. Madhulita Das
    Ph. D.
    madhulia@gmail.com

    Dr. Pradipta Ghosh
    Ph. D.
    pradipta2002@gmail.com

    Dr. Satyabrata Bhattacharya
    Ph. D.
    satya_brata_bhattacharya@yahoo.co.in

    Papri Monda
    M. Sc.
    8013237357
    papri1992mondal@gmail.com

    Anamika Ghosh
    Ph. D.
    +91 7278076835 / +91 6290196323
    anamikaghosh024@gmail.com / anamika.rs2018@chem.iiests.ac.in

    Research:
    Theoretical Biophysical Chemistry

    Achintya Mondal
    Ph. D.
    sudip@chem.iiests.ac.in

    Papri Mondal
    Ph. D
    8013237357
    papri1992mondal@gmail.com

    Citations


    Google Scholar
    CITATION H-INDEX I-10 INDEX
    1757 23 54
    Scopus
    DOCUMENTS CITATION H-INDEX
    126 1354 22

    Created: 23 November 2019