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Department of Physical Sciences home

Amlan K Roy

Amlan K Roy

Position
Professor, Chemical Sciences (DCS)
Location
Department of Physical Sciences, IISER Kolkata
Room No: ACC Building, 2nd Floor , Room no. 211

Research areas


  • Electronic structure theory, Density functional theory, Information theory in chemistry, Confined quantum systems Notice: Undefined variable: research in /home/web/physicsweb2/dps_website2/cms/edit_research_interest.php on line 432


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  • PhD (Theoretical Chemistry), Panjab University, 1998
  • MSC (Chemistry), Visva-Bharati University
  • BSC (Chemistry), College in Contai, Prabhat Kumar College
  • Professor, IISER Kolkata (current)
  • Associate Professor, iiser kolkata (2013 - 2021)
  • Assistant Professor, IISER-Kolkata (2008- 2012)
  • Senior post doctoral researcher, Univ. of Kansas, Lawrence, KS, USA (2006 - 2008)
  • Post doctoral researcher , Univ. of California, Los Angeles, CA, USA (2004 - 2006)
  • Visiting Scientist, Univ. of New Brunswick, Fredericton, NB, Canada (2001 - 2004)
  • Visiting scholar, Univ. of Kansas, Lawrence, KS, USA (2000 - 2001)
  • Post doctoral position, Univ. of New Brunswick, Fredericton, NB, Canada (1999 - 2000)
  • Research Associate, CSIR, New Delhi and JNCASR, Bangalore (1998 - 1999)
  • Biography included in Marquis Who’s Who in America, 63rd Edition (2009).
  • Associate Editor, Frontiers in Chemistry (Theoretical and Computational Chemistry Section), (2022)
  1. Mukherjee, Neetik; Patra, Chandra Nath and Roy, Amlan K.. 2023."Hellmann-Feynman theorem and internal pressure for atoms, molecules and plasmas under pressure." J. Phys. B, 56, 065001
  2. Mukherjee, Neetik; Patra, Chandra Nath and Roy, Amlan K.. 2022."Metallization in hydrogenlike systems under high pressure." Phys. Rev. A, 106, 032812
  3. Mukherjee, Neetik; Chakraborty, Sudipta and Roy, Amlan K.. 2022."Multipole oscillator strength and polarizability for confined hydrogen-like atoms under high pressure." J. Phys. B, 55, 145001
  4. Roy, Raj; Ghosal, Abhisek and Roy, Amlan K.. 2022."Charge-Transfer Excitation within a Hybrid-(G)KS Framework through Cartesian Grid DFT." J. Phys. Chem. A, 126, 1448–1457
  5. Abhisek Ghosal and A. K. Roy, A real-time TDDFT scheme for strong-field interaction in Cartesian coordinate grid, Chem. Phys. Lett. 796, 139562 (7 pages) (2022).
  6. Raj Roy, Abhisek Ghosal and A. K. Roy, Charge-transfer excitation within a hybrid-(G)KS framework through Cartesian grid DFT, J. Phys. Chem. A 126, 1448 (10 pages) (2022).
  7. Neetik Mukherjee and A. K. Roy, Shell-confined atom and plasma: incidental degeneracy, metallic character, and information entropy Phys. Rev. A 104, 042803 (18 pages) (2021).
  8. Abhisek Ghosal and A. K. Roy A self-consistent systematic optimization of range-separated hybrid functionals from first principles, Mol. Phys. e1983056 (18 pages) (2021)
  9. Debraj Nath and A. K. Roy, Analytical solution of D dimensional Schr\"odinger equation for Eckart potential with a new improved approximation in centrifugal term Chem. Phys. Lett. 780, 138909 (7 pages) (2021).
  10. Neetik Mukherjee, C. N. Patra and A. K. Roy, Confined hydrogenlike ions in plasma environments Phys. Rev. A 104, 012803 (21 pages) (2021).
  11. Sangita Majumdar and Amlan K. Roy, Density functional study of atoms spatially confined inside a hard sphere, Int. J. Quant. Chem. 121, e26630 (21 pages) (2021).
  12. Abhisek Ghosal, Tarun Gupta, Kishalay Mahato and Amlan K. Roy, Excitation energies through Becke's exciton model within a Cartesian-grid DFT, Theor. Chem. Acc. 140, 1-9 (2021)
  13. Neetik Mukherjee and Amlan K. Roy, Analysis of Compton profile through information theory in H-like atoms inside impenetrable sphere, Journal of Physics B: Atomic, Molecular and Optical Physics 53, 235002 (14 pages) (2020)
  14. Neetik Mukherjee and Amlan K. Roy, Quantum mechanical virial-theorem for confined quantum systems, Phys. Rev. A 99, 022123-11 (2019).
  15. Abhisek Ghosal, Tanmay Mandal and Amlan K. Roy, Efficient HF exchange evaluation through Fourier convolution in Cartesian grid for orbital-dependent density functionals, J. Chem. Phys. 150, 064104-9 (2019).
SL NO Grant Title Sponsoring Agency Project Period
1 Density functional theory of many electron systems in Cartesian grid SERB-DST October, 2015 - April 2019
2 Information-theoretic measures and complexity under free and confinement situations within DFT: some model and many-electon systems BRNS July, 2019 - January 2023
3 Information entropy in free and confined non-central potentials MATRICS February, 2020 - February 2023
4 Design of appropriate DFT method to mimic pressure effect on atoms and molecules confined in various environment SERB-DST February, 2020 - August 2023
5 Time-independent and time-dependent information in various confined systems CSIR December, 2021 -