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    Dr. Mausumi Chattopadhyaya
    Dr. Mausumi Chattopadhyaya

    Assistant Professor

    Office Address:

    Assistant Professor Department of Chemistry NIT Calicut Kozhikode-673601 Kerala, India

    Contact no:

    Email ID:

    mausumi@nitc.ac.in

    Home Address:

  • Alexander von Humboldt Fellow at Fritz Haber Institute for the Max planck Society, Berlin, Germany (2014-2017)

  • Ph.D. (Theoretical and Computational Chemistry); University of Calcutta, West Bengal, India (2014)

  • M.Sc. (Chemistry with specialization in Physical Chemistry); Department of Chemistry, University of Calcutta, West Bengal, India (2008)

    • Educational Qualifications

    • Alexander von Humboldt Fellow at Fritz Haber Institute for the Max planck Society, Berlin, Germany (2014-2017)

    • Ph.D. (Theoretical and Computational Chemistry); University of Calcutta, West Bengal, India (2014)

    • M.Sc. (Chemistry with specialization in Physical Chemistry); Department of Chemistry, University of Calcutta, West Bengal, India (2008)

    Journals

    2024

     

    1. “A density functional study of type I to type II crossover in g-C3N4/CoN4 heterostructure in presence of external perturbation”. Dhilshada V.N. Sabyasachi Sen, Mausumi Chattopadhyaya*, Int. J. Hydrogen Energy, 91, 1136-1148 (2024) [Impact factor: 8.1].

    2. “Density Functional Theory-Based Modeling of Half-metallic g-C3N4/CoN4 Heterojunction for Photocatalytic Water Splitting Reaction”. Dhilshada V N, Aiswarya Chandran, Sabyasachi Sen, M. Chattopadhyaya*, Physical Chemistry Chemical Physics, 26, 21117-21133 (2024) [Impact factor: 3.7].

    3. “Comparative study of the photocatalytic activity of g-C3N4/MN4 (M = Mn, Fe, Co) for water splitting reaction: A theoretical study”. Dhilshada V N, Sabyasachi Sen, M. Chattopadhyaya*, Journal of Computational Chemistry, 45, 2518-2529, (2024) [Impact factor: 3.4].

    4. “Evidence of half metal to insulator transition and subsequent photocatalytic action in g-C4N3@Lin =1 to 4: A systematic theoretical analysis”. Solid State Communication, Biswas et al….M. Chattopadhyaya, 389, 115585 (2024). [Impact factor: 2.1].

    2023

    1. “Spintronic action of Cn-C6H6-Fe-C6H6-C13-n; n = 6: How crucial are d electrons?” Ajit Biswas, Shankar Prasad Mitra, Rinki Bhowmick, Dipankar Adak, M. Chattopadhyaya*, Sabyasachi Sen, Journal of Molecular Structure, 1277, 134836 (2023) [Impact factor: 3.8].

    2022

    1. “Polypyrrole-bismuth selenide (PPY-Bi2Se3) composite-thermoelectric characterization and effect of nickel doping”, P. Mandal, S. Maitra, M. J. Chatterjee, M. Chattopadhyaya, K. Kargupta, and D. Banerjee. Synthetic Metal. 289, 117119 (2022) [Impact factor: 3.3].

    2. “Unveiling the Electrocatalytic Activity of Crystal Facet-Tailored Cobalt Oxide-rGO Heterostructure Toward Selective Reduction of CO2 to Ethanol” by S. Saha*, S. Maitra, M. Chattopadhyaya, A, Sarkar, Shaque, S.  Roy, and K. Kargupta. ACS Appl. Nano Mater. 5, 10369-10382, (2022) [Impact factor: 6.14].

    3. π-Stacked (Cn-C6H6–Fe–C6H6–C13-n)n=2: A spin operated thermoelectric nanodevice   S. Prasad Mitra, R. Bhowmick, A.  Biswas, M Chattopadhyaya,** S. Koley, S. Sen,* Journal of Physics and Chemistry of Solids, 170, 110900, (2022). [Impact factor: 4.4]

    4. “Role of d-orbital electrons in tuning multifunctional spintronic action in pi-stacked Cn-C6H6-Fe-C6H6-C13-n” R. Bhowmik, M. Chattopadhyaya*, S. Prasad. Mitra, A. Biswas and S. Sen*. Chemical Physics (2022) 558, 111507. [Impact factor: 2.3].

    2021

    1. "G–C4N3–graphene-g-C4N3: A useful spin thermoelectric material" R. Bhowmik, S. Koley, M. Chattopadhyaya* and S. Sen*. Journal of Physics and Chemistry of Solids (2021), 156, 110186 [Impact factor: 3.4].

    2. "Evidence of critical tunneling width in ensuring spin polarized asymmetric negative differential resistance feature in two-dimensional g-C4N3-graphene-g-C4N3" R. Bhowmik, M. Chattopadhyaya* and S. Sen*, Chemistry Select, (2021) 6, 6916-6924. [Impact factor: 1.8].  

    2020

    1. "Effect of relative position of donor and acceptor groups on linear and non-linear optical properties of quinoline system" by M. Chattopadhyaya* and M. M. Alam*. Chemical Physics Letter (2020). 754, 137582. [Impact factor: 1.9].

    2. "Calculation of salt-dependent free energy of binding of β-lactoglobulin homodimer formation and mechanism of dimer formation using molecular dynamics simulation and three-dimensional reference interaction site model (3D-RISM): diffuse salt ions and non-polar interactions between the monomers favor the dimer formation" by R. Srivastava, M. Chattopadhyaya and P. Bandyopadhyay. Physical Chemistry Chemical Physics (2020) 22, 2142. [Impact factor: 3.6].

    2017

    1. "Tuning intermolecular interactions with nanostructured environments" by M. Chattopadhyaya, J. Hermann, I. Poltavsky and A. Tkatchenko. Chemistry of Materials, (2017) 29, 2452. [Impact factor: 9.4].

    2. "Origin of the Absorption Band of Bromophenol Blue in Acidic and Basic pH: Insight from a Combined Molecular Dynamics and TD-DFT/ MM Study" by M. Chattopadhyaya, N. A. Murugan, Z. Rinkevicius. Journal of Physical Chemistry A (2016) 120, 7175. [Impact factor: 2.9].

    2016

    1. "A Theoretical Study of One- and Two-Photon Activity of D-Luciferin" by M. Chattopadhyaya,* M. M. Alam.* Computation. (2016) 4, 43. [Impact factor: 0.8].

    2014

    1. "Electrically Controlled Eight Spin-qubit Entangled State Generation in a Molecular Break-junction" by M. Chattopadhyaya, M. M. Alam and S. Chakrabarti. Physical Chemistry and Chemical Physics, (2014) 15, 1747,. [Impact factor: 3.1].

    2. "Ab initio study of solvent-dependent one-, two- and three-photon absorption properties of PRODAN-based chemo-sensors" by M. M. Alam, M. Chattopadhyaya. Journal of Chemical Science (2014) 126, 1217–1226  [Impact factor: 1.3].

    3. "On the origin of the very strong two-photon activity of squaraine dyes – a standard/damped response theory study" by M. M. Alam, M. Chattopadhyaya, S. Chakrabarti and A. Rizzo. Physical Chemistry Chemical Physics. (2014) 16, 8030. [Impact factor: 4.4].

    4. "Chemical Control of Channel Interference in Two-Photon Absorption Processes" by M. M. Alam, M. Chattopadhyaya, S. Chakrabarti and K. Ruud. Accounts of Chemical Research (2014) 47, 1604.  [Impact factor: 22.0]

    2013

    1. "Chemical control of a molecular spin switch in the presence of a gate" by M. Chattopadhyaya, M. M. Alam and S. Chakrabarti. RSC Advances (Communication) (2013) 3, 19894. [Impact factor: 3.3].

    2. "Spatial spin-charge separation in neutral endohedral metallofullerene: A combined restricted open-shell MP2 and Car–Parrinello molecular dynamics study" by M. Chattopadhyaya, N A. Murugan, M. M. Alam and S. Chakrabarti. Chemical Physics Letter (2013) 557, 71.  [Impact factor: 1.9].

    3. "On site Coulomb repulsion dominates over the non-local Hartree-Fock exchange in determining the band gap of polymers" by M. Chattopadhyaya, S. Sen, M. M. Alam and S. Chakrabarti. Journal of Physics and Chemistry of Solids (2013) 75, 212. [Impact factor: 2.0].

    4. "Effect of donor–acceptor orientation on solvent-dependent three-photon activity in through space charge-transfer systems – case study of [2,2]-paracyclophane derivatives" by M. M. Alam, M. Chattopadhyaya and S. Chakrabarti. Physical Chemistry Chemical Physics (2013) 15, 17570. [Impact factor: 4.4].

    2012

    1. "On the microscopic origin of bending of graphene nanoribbons in the presence of a perpendicular electric field" by M. Chattopadhyaya, M. M. Alam and S. Chakrabarti. Physical Chemistry Chemical Physics (Communication) (2012) 14, 9439. [Impact factor: 4.4]

    2. "Electrostatic Spin Crossover and Concomitant Electrically Operated Spin Switch Action in a Ti-BaseD Endohedral Metallofullerene Polymer" by M. Chattopadhyaya, M. M. Alam, S. Sen and S. Chakrabarti. Physical Review Letter (2012) 109, 257204. [Impact factor: 9.2].

    3. "The role of relativity and dispersion controlled inter-chain interaction on the band gap of thiophene, selenophene, and tellurophene oligomers" by M. Chattopadhyaya, S. Sen, M. M. Alam and S. Chakrabarti. Journal of Chemical Physics (2012) 136, 094904. [Impact factor: 2.9].

    4. "Solvent induced channel interference in the two-photon absorption process-a theoretical study with a generalized few-state-model in three dimensions" by M. M. Alam, M. Chattopadhyaya and S. Chakrabarti. Physical Chemistry Chemical Physics. (2012) 14, 1156. [Impact factor: 4.4].

    5. "High-Polarity Solvents Decreasing the Two-Photon Transition Probability of Through Space Charge-Transfer Systems-A Surprising in Silico Observation" by M. M. Alam, M. Chattopadhyaya, S. Chakrabarti and K. Ruud. Journal of Physical Chemistry Letter (2012) 3, 961. [Impact factor: 8.5]

    6. "Enhancement of twist angle dependent two-photon activity through the proper alignment of ground to excited state and excited state dipole moment vectors" by M. M. Alam, M. Chattopadhyaya and S. Chakrabarti. Journal of Physical Chemistry A (2012) 116, 8067. [Impact factor: 2.9]

    7. "On the Origin of Large Two-Photon Activity of DANS Molecule" by M. M. Alam, M. Chattopadhyaya and S. Chakrabarti. Journal of Physical Chemistry A (2012) 116, 11034. [Impact factor: 2.9]

    2011

    1. "A new design strategy for the two-photon active material based on push-pull substituted bisanthene molecule" by M. Chattopadhyaya, M. M. Alam and S. Chakrabarti. Journal of Physical Chemistry A (2011) 115, 2607. [Impact factor: 2.9].

    2. "A critical theoretical study on the two-photon absorption properties of some selective triaryl borane-1-naphthylphenyl amine based charge transfer molecules" by M. M. Alam, M. Chattopadhyaya and S. Chakrabarti. Physical Chemistry Chemical Physics (2011) 13, 9285. [Impact factor: 4.4].  

    Conferences

    1. S. P. Mitra, A. Biswas, S. Dey, U. Roy, R. Bhowmick, M. Chattopadhyaya, T. Dutta, J. Chakraborty and S. Sen. “Role of dopants in tuning spintronic features of lithium doped g-C4N3@Lin =1 to 4” Journal of Physics: Conference Series 2286 012008 (2022). https://iopscience.iop.org/article/10.1088/1742-6596/2286/1/012008

    Conference name: International Conference on Smart Technologies for Sustainable Development 2021 (ICSTSD 2021) 28/10/2021 - 29/10/2021 Online

    2. R. Bhowmick, J. Chakraborty, S. P. Mitra, A. Biswas, S. Maiti, T. Dutta, S. Koley, M. Chattopadhyaya and S. Sen. “Even Odd Oscillation in Tunnelling Magneto Resistance of Transition metal doped Metallo Porphyrin systems” Journal of Physics: Conference Series 2286, 012007 (2022). https://iopscience.iop.org/article/10.1088/1742-6596/2286/1/012007

    Conference name: International Conference on Smart Technologies for Sustainable Development 2021 (ICSTSD 2021) 28/10/2021 - 29/10/2021 Online

    3. R. Bhowmick, M. Chattopadhyaya, J. Chakraborty, B. Chakraborty, A. Roy, B. Neogi, S. Koley and S. Sen. “Can enhancement in tunnelling width influence the final spintronic feature of two-dimensional nanostructure of graphitic carbon nitride-(graphene)- graphitic carbon nitride?” Journal of Physics: Conference Series, 1797 012046 (2021). https://iopscience.iop.org/article/10.1088/1742-6596/1797/1/012046/meta

    Conference name: International Online Conference on Engineering Response to COVID-19 (IOCER-COVID-19) 2020 8-9 October 2020, JIS College of Engineering, Kalyani, West Bengal, India

    4. R. Bhowmick, M. Chattopadhyaya, J. Chakraborty, S. Maity, A. Basu, S. Koley, A. Roy and S. Sen. “Atomic chain of carbon atoms: Smallest negative differential resistance device” . Phys.: Conf. Ser. 1797 012047 (2021). https://iopscience.iop.org/article/10.1088/1742-6596/1797/1/012047/meta

    Conference name: International Online Conference on Engineering Response to COVID-19 (IOCER-COVID-19) 2020 8-9 October 2020, JIS College of Engineering, Kalyani, West Bengal, India

    Professional Experience

    • Assistant Professor, National Institute of Technology, Calicut, Sepetember 2020 - Present

    • Assistant Professor, Amity University, Noida, Sepetember 2017 - March 2020

    • Alexander von HUmboldt Fellow (at Fritz Haber Institute of the Max Planck Society) March 2015 - May 2017

    • Post doctoral fellow at Fritz Haber Institute of the Max Planck Society May 2014 - February 2015

    Convener of Summer Internship Selection Committee 2021

    • Short term project work for completeing M.Sc. thesis (Minimum 3 months and maximum 6 months)

    • NET or GATE qualified motivated students for pursuing PhD

    • Post doctoral fellows with own funding / fellowships

    • PhD student: Dhilshada V. N. (JRF, Joined on February 2021)

    • M.Sc. Project Completed: Anai Jishnu Suresh 

    Sponsored Project

    Got one funded project on 2018 from Science and Engineering Research Board (SERB) under the scheme of “Teachers Associateship for Research Excellence (TARE)”.

    Awards and Fellowships

    • Research visit @Department of Theoretical Chemistry and Biology, School of Biotechnology, KTH Royal Institute of Technology, Sweden, for one month Oct-Nov ‘2012 during PhD tenure.

    • Acharya Prafulla Chandra Ray (A. P. C. Ray) award based on PhD work on 2013.

    • Post doctoral fellowship (on 2014) from Fritz Haber Institute of the Max Planck Society, Berlin, Germany. 

    • Alexander von Humboldt (AvH) fellowship on 2015.

    Invited Lectures

    • Invited speak on "International Conference on Engineering Response to COVID-19 (IOCER COVID-19 2020)" @JIS Engineering College on 9th October 2020, Kolkata, West Bengal, India.

    • Invited speaker on 2nd International Conference on Non-Conventional Energy – Nanotechnology & Nanomaterials for Energy and Environment @JIS Engineering College on December 2019, Kolkata, West Bengal, India.

    • Invited speaker on Industry Interactive Innovation in Science, Engineering and Technology (ICNNEE2019) @JIS Engineering College on October 2019, Kolkata, West Bengal, India.

    • Invited talk on "Theoretical Chemistry Symposium (TCS2019)" held on February 13-16, 2019 at @Bits Pilani, India.

    • Invited speaker on "Faculty Development Program (FDP)" held on July 2-4 2018 at @Amity University, Noida, Uttar Pradesh, India.

    • B.Tech 

      • Chemistry (Course code : CY1001)

    • M.Sc Chemistry

      • Chemical Kinetics and Surface Chemistry (Course code : CY6313)

    • Wetting of low dimensional materials

    • Intermolecular interaction

    • Spintronics/Spin crossover phenomenon/Spin-charge Separation

    • Nonlinear Optical Properties

    • Magnetism

    Address:

    National Institute of Technology Calicut,
    NIT Campus P.O 673 601,
    Kozhikode, India.

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