A B C D E F G H I J K L M N O P Q R S T U V W X Y Z
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Amlan K Roy

PhD:
Chemistry (Panjab University, Chandigarh, 1998)
Area of Interest:
Theoretical Chemistry
Email ID:
akroy
Research Interest:

Density functional theory of excited states and time-dependent systems, Electronic structure theory, Atoms and molecules under intense laser field,  Ab-initio calculation, Singular potentials, Confined systems, Hollow resonances, Rydberg states, Negative atoms, Molecular clusters, Momentum-space properties of molecules, Molecular conductance.

Academic Qualification:

Ph.D. (Theoretical Chemistry), Panjab University, Chandigarh, 1998

Positions:
Associate Professor, Indian Institute of Science Education and Research (IISER), Kolkata (2013-)

Assistant Professor, Indian Institute of Science Education and Research (IISER), Kolkata (2008-2012).

Senior post doctoral researcher at univ. of Kansas, Lawrence, KS, USA (2006-2008).

Post doctoral researcher at Univ. of California, Los Angeles, CA, USA (2004-2006).

Visiting Scientist at Univ. of New Brunswick, Fredericton, NB, Canada (2001-2004).

Visiting Scholar at Univ. of Kansas, Lawrence, KS, USA (2000-2001).

Post doctoral position at Univ. of New Brunswick, Fredericton, NB, Canada (1999-2000).

Research Associateship from CSIR, New Delhi and JNCASR, Bangalore (1998-1999).

Awards and Honors:
  • Editorial Board Member of Dataset Papers in Physical Chemistry, NY, USA.
  • Editorial Board Member of International Journal of Chemistry and Chemical Engineering, Research India Publications, New Delhi.
  • Visiting Researcher at Univ. of California, Los Angeles, CA, USA, for two months, in Summer 2011.
  • Biography included in Marquis Who's Who in America, 63rd Edition (2009).
  • Visiting Researcher at the Quantum Theory Project (QTP), Univ. of Florida, Gainesville, FL, USA, for two and half months, in Summer 2009.
  • Graduates' Aptitude Test in Engineering (GATE) (1992).
  • Joint CSIR-UGC test (1992).
  • List of Publications:

    1. Abhisek Ghosal and Amlan K. Roy, DFT calculations of atoms and molecules in Cartesian grid , in `Specialist Periodical Reports: Chemical Modelling, Applications and Theory, Vol. 13'', 221-260, Eds. M. Springborg and J.-O.Joswig, Royal Society of Chemistry, London (2016).
    2. Abhisek Ghosal, Neetik Mukherjee and Amlan K. Roy, Information entropic measures of a quantum harmonic oscillator in symmetric and asymmetric confinement within an impenetrable box, Ann. Phys. (Berlin) 528 796-818 (2016).
    3. Amlan K. Roy, Critical parameters and spherical confinement of H atom in screened Coulomb potential,  Int. J. Quant. Chem.  116  953-960 (2016).
    4. Neetik Mukherjee and Amlan K. Roy, Quantum confinement in an asymmetric double-well potential through energy analysis and information entropic measure, Ann. Phys. (Berlin) 528 412-433 (2016). 
    5. M. Sadhukhan, A. K. Roy, P. K. Panigrahi and B. M. Deb, Dynamics of electronic motion in hydrogen atom under parallel strong ocillating magnetic field and intense laser fields, Int. J. Quant. Chem. 116, 377 - 387 (2016).
    6. Neetik Mukherjee, Arunesh Roy and Amlan K. Roy, Information entropy as a measure of tenneling and quantum confinement in a symmetric double-well potential, Ann. Phys. (Berlin) 527 825-845 (2015).
    7. Amlan K. Roy, Quantum confinement in 1D systems through an imaginary-time evolution method, Modern Physics Letters A, 30 1550176 (16 pages) (2015).
    8. Amlan K. Roy,  Spherical confinement of Coulombic systems inside an impenetrable box: H atom and the Hulthen potential, Int. J. Quant. Chem. 115, 937-947 (2015).
    9. Amlan K. Roy, Ground and excited states of spherically symmetric potentials through an imaginary-time evolution method: application to be spiked harmonic oscillators, J. Math. Chem. 52, 2645-2662 (2014).
    10. Amlan K. Roy, Confinement in 3D polynomial oscillators through a generalized pseudospectral method, Modern Physics Letters A, 29 1450104 (17 pages) (2014).  
    11. Amlan K. Roy, Ro-vibrational spectroscopy of molecules represented by a Tietz-Hua oscillator potentialJ. Math. Chem. 52, 1405-1413 (2014).
    12. Amlan K. Roy, Studies on bound-sate spectra of Manning-Rosen potential, Modern Physics Letters A, 29, 1450042 (14 pages) (2014).
    13. Amlan K. Roy, Ro-vibrational studies of diatomic molecules in a shifted Deng-Fan oscillator potential. Int. J. Quant. Chem. 114, 383-391 (2014)
    14. Amlan K. Roy, Studies on the bound-state spectrum of Hyperbolic potential, Few-Body Systems 55, 143-150 (2014)
    15. Amlan K. Roy, Accurate ro-vibrational spectroscopy of diatomic molecules in a Morse oscillator potential Click Here Results in Physics 3, *103-108 (2013).
    16. Amlan K. Roy, Studies on some exponential-screened Coulomb potentials, Int. J. Quant. Chem. 113, 1503-1510 (2013).
    17. Shane P. McCarthy, Amlan K. Roy, Sergey Kazachenko and Ajit J. Thakkar, A dispersion-corrected density functional theory study of hexamers of formic acid, Can. J. Chem. 91, 527-528 (2013) (Special Issue dedicated to Professor Denis Salahub in recognition of his contribution to theoretical and computational chemistry).
    18. Amlan K. Roy (Editor), Theoretical and Computational Developments in Modern Density Functional Theory, 22 Chapters, Nova Science Publishers, Hauppauge, NY, USA, Hardcover (598 pages), October (2012).
    19. Amlan K. Roy, A density functional method for general excited states in atoms, in "Focus on Quantum Mechanics", David E. Hathaway and Elisabeth M. Randolph (Ed.), Nova Science Publishers, Hauppauge, NY, USA, pp. 157-195 (2012).
    20. Amlan K. Roy, Density functional calculation of many-electron systems in Cartesian coordinate grid, J. Math. Chem. 49 1687-1699 (2011).
    21. Amlan K. Roy, A general method for central potentials in quantum mechanics , in ``Mathematical Chemistry", W. I. Hong (Ed.), Nova Science Publishers, Hauppauge, NY, USA, pp. 555-599 (2011).
    22. Amlan K. Roy, A new density functional method for electronic structure calculation of atoms and molecules, in ``Handbook of Computational Chemistry Research, Charles T. Collett and Christopher D. Robson (Eds.), Nova Science Publishers, Hauppauge, NY, USA, pp. 409-434 (2010).
    23. Amlan K. Roy, A new DFT method for atoms and molecules in Cartesian grid, Trends in Physical Chemistry, 14 27-44 (2010) (Invited Article).
    24. Amlan K. Roy, J. L. Speyer, L. Bartell and D. Neuhauser, Spin-birefringence in molecular currents: Tellurium and gold complexes, Chem. Phys. Lett. 484 104-109 (2010). (Considered significant contribution by the Editor).
    25. A. F. Jalbout, Flavio F. Contreras-Torres, Amlan K. Roy and Aned de Leon, Monte Carlo simulation on the RKKY interactions of Co-doped ZnS and ZnSe nano films. J. Comp. Theor. Nanoscience 6 148-152 (2009).
    26. Amlan K. Roy, Pseudopotential density functional treatment of atoms and molecules in cartesian coordinate grid. Chem. Phys. Lett. 461 8 142-149 (2008). (Considered significant contribution by the Editor).
    27. A. F. Jalbout, Amlan K. Roy, Aned de Leon and I. Jimenez-Fabian, Metallo[Endo]fullerene-SWNT intaractions: A theoretical study. J. Mol. Struct: Theochem 858 39-456 (2008).
    28. Amlan K. Roy, Grid-based density functional calculations of many-electron systems. Int. J. Quant. Chem. 108 837-847 (2008).
    29. Amlan K. Roy and A. F. Jalbout, Bound states of the generalized spiked harmonic oscillator J. Mol. Struct: Theochem 853 27-32 (2008).
    30. Amlan K. Roy, A. F. Jalbout and E. I. Proynov, Bound state spectra of the 3D rational potential. Int. J. Quant. Chem. 108 827-836 (2008).
    31. Amlan K. Roy, A. F. Jalbout and E. I. Proynov, Accurate calculation of the bound states of Hellmann potential. J. Math. Chem. 44 260-269 (2008).
    32. A. F. Jalbout, Amlan K. Roy, A. H. Shipar and M. S. Ahmed, Density functional computational studies on the glucose and glycine Maillard reaction: Formation of the Amadori rearrangement products. Int. J. Quant. Chem. 108 589-597 (2008).
    33. Amlan K. Roy and A. F. Jalbout, Ground and excited states of Li - , Be - through a density-based approach. Chem. Phys. Lett. 445 355-360 (2007).
    34. Amlan K. Roy, J. R. Hart and A. J. Thakkar, Clusters of glycolic acid and 16 water molecules. Chem. Phys. Lett. 434 176-181 (2007).
    35. K. D. Sen and Amlan K. Roy, Studies on the 3D confined potentials using generalized pseudospectral approach. Phys. Lett. A 357 112-119 (2006).
    36. Amlan K. Roy, Density functional studies on the hollow resonances in Li-isoelectronic sequence (Z=4-10). J. Phys. B 38 1591-1606 (2005).
    37. Amlan K. Roy, Studies on some singular potentials in quantum mechanics. Int. J. Quant. Chem. 104 861-870 (2005).
    38. Amlan K. Roy, The generalized pseudospectral approach to the bound states of Hulthen and Yukawa potential. Pramana-Journal of Physics 65 01-15 (2005).
    39. Amlan K. Roy, A. J. Thakkar and B. M. Deb, Low-lying states of two dimensional double-well potentials. J. Phys. A 38 2189-2199 (2005).
    40. Amlan K. Roy and A. J. Thakkar, Pentamers of formic acid. Chem. Phys. 312 119-126 (2005).
    41. Amlan K. Roy, S. Hu and A. J. Thakkar, Clusters of glycolic acid with three to six water molecules. J. Chem. Phys. 122 074313-10 (2005).
    42. Amlan K. Roy, Calculation of the spiked harmonic oscillators through a generalized pseudospectral method. Phys. Lett. A 321 231-238 (2004).
    43. Amlan K. Roy, Calculation of the bound states of power-law and logarithmic potentials through a generalized pseudospectral method. J. Phys. G 30 269-278 (2004).
    44. Amlan K. Roy, Studies on the hollow states of atomic lithium using a density functional approach. J. Phys. B 37 4369-4386 (2004).
    45. Amlan K. Roy and A. J. Thakkar, Structures of the formic acid trimer. Chem. Phys. Lett. 386 162-168 (2004).
    46. Amlan K. Roy, A. J. Thakkar and B. M. Deb, Numerical solution of the Schrodinger equation for two-dimensional double-well oscillators. , in ``International Conference of Computational Methods in Sciences and Engineering (ICCMSE 2004), Lecture Series on Computer and Computational Sciences'', 1042-1045, Eds. T. Simas and G. Maroulis, VSP, The Netherlands, (2004).
    47. Amlan K. Roy and A. J. Thakkar, Formic acid tetramers: a structural study. Chem. Phys. Lett. 393 347-354 (2004).
    48. A. Wadehra, Amlan K. Roy and B. M. Deb, Ground and excited states of one-dimensional self-interacting nonlinear oscillators through time-dependent quantum mechanics. Int. J. Quant. Chem. 91 597-606 (2003).
    49. Amlan K. Roy, N. Gupta and B. M. Deb, Time-dependent quantum mechanical calculations of ground and excited states of anharmonic and double- well oscillators. Phys. Rev. A 65 012109-7 (2002)
    50. Amlan K. Roy and Shih-I Chu, Quantum Fluid Dynamics Approach for Electronic Structure Calculation: Application to the Study of Ground-State Properties of Rare Gas Atoms, J. Phys. B 35 2075-2086 (2002).
    51. Amlan K. Roy and Shih-I Chu, Quantum Fluid Dynamics Approach for Strong Field Processes: Application to the Study of Multiphoton Ionization and High-Order Harmonic Generation of He and Ne in Intense Laser Fields, Phys. Rev. A 65 043402-10 (2002).
    52. Amlan K. Roy and Shih-I Chu, Density functional calculations on singly- and doubly-excited Rydberg states of many-electron systems, Phys. Rev. A 65 052508-9 (2002).
    53. Neetu Gupta, Amlan K. Roy and B. M. Deb, One-dimensional multiple-well oscillators: A time-dependent quantum mechanical approach, Pramana-Journal of Physics 59 575-584 (2002).
    54. Amlan K. Roy and A. J. Thakkar, MacLaurin expansions of electron momentum densities for 78 diatomic molecules: a numerical Hartree-Fock study, Chem. Phys. Lett. 362 428-434 (2002).
    55. Amlan K. Roy, N. Gupta, A. Wadehra and B. M. Deb, Nonlinear oscillators in quantum mechanics , in ``Recent Advances in Atomic and Molecular Physics", 14-32, R. Srivastava, Phoenix Publ. (2001).
    56. Amlan K. Roy and B. M. Deb, A nonlinear quantum mechanical equation of motion for many-electron systems , in ``Nonlinear Phenomena in Physical and Biological Sciences", 947-987, Eds. S. K. Malik, M. K. Chandrasekharan and N. Pradhan, INSA, New Delhi, India (2000).
    57. Vikas, Amlan K. Roy and B. M. Deb, A density functional calculation of Ar ++ 3s 2 3p 3 (nl) satellites. Ind. J. Chem. Sec. A, Special Issue, 39 32-39 (2000).
    58. Amlan K. Roy, B. K. Dey and B. M. Deb, Direct calculation of ground-state electronic properties and densities of noble gas atoms through a single time-dependent hydrodynamical equation. Chem. Phys. Lett. 308 523-531 (1999).
    59. R. Singh, Amlan K. Roy and B. M. Deb, Density functional calculations on low-lying singly excited states of open-shell atoms. Chem. Phys. Lett. 296 530-536 (1998).
    60. Amlan K. Roy and B. M. Deb, Density functional calculations on neon satellites. Chem. Phys. Lett. 292 461-466 (1998).
    61. Amlan K. Roy and B. M. Deb, Atomic inner-shell transitions: A density functional approach. Phys. Lett. A 234 465-471 (1997).
    62. Amlan K. Roy, R. Singh and B. M. Deb, Density functional calculations on triply excited states of Lithium isoelectronic series. Int. J. Quant. Chem. 65 317-332 (1997).
    63. Amlan K. Roy, R. Singh and B. M. Deb, Density functional calculation for doubly excited states of He, Li+, Be2+ and B3+(1,3Se, 1,3 Po, 1,3De, 1,3Fo ,1Ge) J. Phys. B 30 4763-4782 (1997).