Amlan K Roy
- Position
- Professor, Chemical Sciences (DCS)
- Location
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Department of Physical Sciences, IISER Kolkata
Room No: ACC Building, 2nd Floor , Room no. 211
-
Email: akroy [at] iiserkol.ac.in
Tel: +91(0)3361360000(Extn:1260)
Personal home page
Research group
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)
- 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
- Mukherjee, Neetik; Patra, Chandra Nath and Roy, Amlan K.. 2022."Metallization in hydrogenlike systems under high pressure." Phys. Rev. A, 106, 032812
- 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
- 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
- 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).
- 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).
- 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).
- 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)
- 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).
- Neetik Mukherjee, C. N. Patra and A. K. Roy, Confined hydrogenlike ions in plasma environments Phys. Rev. A 104, 012803 (21 pages) (2021).
- 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).
- 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)
- 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)
- Neetik Mukherjee and Amlan K. Roy, Quantum mechanical virial-theorem for confined quantum systems, Phys. Rev. A 99, 022123-11 (2019).
- 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 - |