Dr. Kousik Samanta
Department : Basic Sciences
Professional Summary
Doctoral: Investigation of electron-atom/molecule scattering resonances using complex multi- con gurational self-consistent eld method” (Texas A&M University, College Station, TX, USA).
Masters: Treatment of resonances using dilated electron propagator” (Indian Institute of Tech- nology Bombay, Mumbai, India).
Reviewer of Journal of Chemical Theory and Computation, Journal of Physical Chemistry, ACS Omega, Journal of Chemical Physics.
Assistant Professor (IIT Bhubaneswar): 2014 — present.
Post-doctoral Researcher with Prof. Joseph Subotnik (University of Pennsylvania): Sept 2012 — June 2014.
Postdoctoral Research Associate with Prof. Gustavo Scuseria (Rice University): August 2010 — August 2012.
Postdoctoral Fellow with Prof. David Yarkony (Johns Hopkins University): July 2009 — July 2010.
Graduate Assistant — Research & Teaching (Texas A&M University): August 2003 — May 2009. (Graduate research was done under the supervision of Prof. Danny Yeager).
Publications
1Samanta, K.; Yeager, D. L. J. Phys. Chem. B 2008, 112, 16214-16219: “Investigation of 2P Be shape resonances using a quadratically convergent complex multicon gurational self-consistent eld method”. (DOI: https://doi.org/10.1021/jp806998n)
2Samanta, K.; Yeager, D. L. Int. J. Quantum Chem. 2009, 110, 798-812: “Obtaining resonance positions and widths of scattering resonances from a complex multicon gurational self-consistenteld state using the M1 method”. (DOI: https://doi.org/10.1002/qua.22047)
3Samanta, K.; Yeager, D. L. Adv. Chem. Phys. 2012, 150, 103-142: “Complex multiconfigurational self-consistent eld based methods to investigate electron-atom/molecule scattering resonances”. (DOI: https://doi.org/10.1002/9781118197714.ch2)
4Samanta, K.; Yarkony, D. R. Chem. Phys. 2010, 378, 110-117: “On the role of conical intersections and their local topography in the photodissociation of the 1-hydroxyethyl radical”. (DOI: https://doi.org/10.1016/j.chemphys.2010.10.011)
5Scuseria, G. E.; Jimenez-Hoyos, C. A.; Henderson, T. M.; Samanta, K.; Ellis, J. K. J. Chem.Phys. 2011, 135, 124108: Projected quasiparticle theory in molecular electronic structure”(Included in the JCP Editor’s Choice 2011 and listed as the Most Downloaded Article in
September 2011).
6Samanta, K.; Jimenez-Hoyos, C. A.; Scuseria, G. E. J. Chem. Theor. Comput. 2012, 8, 4944{4949: Exploring copper oxide cores using the projected Hartree-Fock method”.
7Samanta, K.; Beams, J. M., Lester, M. I.; and Subotnik, J. E. 2014, 141, 134303: “Quantum dynamical investigation of the simplest Criegee intermediate, CH2OO: Electronic spectroscopy and O-O dissociation channels”. (DOI: https://doi.org/10.1063/1.4894746)
8Samanta, K.; Yeager, D. L. Am. Inst. Phys. (AIP) Conf. Proc. 2015, 1642, 239: “Investigation of electron-atom/molecule scattering resonances: two complex multiconfigurational self-consistent field approachesâ€.
9Tripathy, S. K.; van der Meer, M.; Sahoo, A.; Laha, P.; Dehury, N.; Plebst, S.; Sarkar, B.; Samanta, K.; Patra, S., Dalton Trans. 2016, 45, 12532, “Dinuclear [{(p-cym)RuIICl}2(µ-bpytz•-)](PF6) complex bridged by a radical anion: synthesis, spectroelectrochemical, EPR and computational investigation (bpytz = 3,6-bis(3,5-dimethylpyrazolyl)1,2,4,5-tetrazine; p-cym = p-cymene)â€.
10Samanta, K.; Tsogbayar, T.; Zhang, S. B.; Yeager, D. L. Adv. Quantum Chem. 2018, 77, 317, “Electron–Atom and Electron–Molecule Resonances: Some Theoretical Approaches Using Complex Scaled Multiconfigurational Methodsâ€.
11Pathak, A. D.; Chanda, U. K.; Samanta, K; Mandal, A.; Sahoo, K. K.; Pati, S. Electrochim. Acta 2019, 317, 654: “Selective leaching of Al from hypereutectic Al-Si alloy to produce nano-porous silicon (NPS) anodes for lithium ion batteriesâ€.
12Das, S.; Sajeev, Y.; and Samanta, K. J. Chem. Theor. Comput. 2020, 16, 5024-5034: “An electron propagator approach based on a multiconfigurational reference state for the investigation of negative-ion resonances using complex absorbing potential methodâ€.
13Pathak, A.D.; Samanta, K.; Sahu, K.K.; and Pati, S. J. Appl. Electrochem. 2021, 51, 143-154: “Mechanistic insight into the performance enhancement of Si anode of a lithium-ion battery with a fluoroethylene carbonate electrolyte additiveâ€.
14Das, S.; Samanta, K. J. Chem. Phys. 2022, 156, 224110: “Investigation of negative-ion resonances using a subspace-projected multiconfigurational electron propagator perturbed with a complex absorbing potentialâ€
15Bera, S. K.; Maharana, R. R.; Samanta, K.; Mal, P. Org. Biomol. Chem., 2022, Advance Article: “CBr4 catalyzed activation of α,β-unsaturated ketones” (DOI https://doi.org/10.1039/D2OB01223E)
16Das, S.; Samanta, K. Chem. Phys. 2023, 564, 111712: “Investigation of electron-induced scattering resonances using a multiconfigurational polarization propagator and a complex absorbing potential” (DOI: https://doi.org/10.1016/j.chemphys.2022.111712)
17Das, S.; Samanta, K. ChemPhysChem 2023, 24, e202200546: “Recent Advances in the Study of Negative-Ion Resonances Using Multiconfigurational Propagator and a Complex Absorbing Potential”. (DOI: https://doi.org/10.1002/cphc.202200546)
1Samanta, K.; Yeager, D. L. Am. Inst. Phys. (AIP) Conf. Proc. (in press): Investigation of electron-atom/molecule scattering resonances: two complex multicon gurational self-consistent eld approaches”.
2Samanta, K.; Yeager, D. L. Am. Inst. Phys. (AIP) Conf. Proc. (in press): The eects of higher angular momentum functions on shape resonances”.
3The role of conical intersections in the photodissociation of 1-hydroxyethyl radical”: Gordon Research Conference, New London, NH, USA (July 2010).
4A complex multicon gurational self-consistent eld approach in the investigation of electron atom/molecule scattering resonances”: Southwest Theoretical Chemistry Conference, El Paso, TX, USA (October 2008).
5Multicon gurational self-consistent eld theory based on a dilated Hamiltonian in the inves-tigation of electron-atom scattering resonances”: Southwest Theoretical Chemistry Conference, College Station, TX, USA (October 2007).
6Investigation of scattering resonances: a complex multicon gurational self consistent eld approach”: Southwest Theoretical Chemistry Conference, Austin, TX, USA (October 2006).