Center for Atomic, Molecular, and Optical Sciences & Technologies

A Joint Initiative of IIT Tirupati and IISER Tirupati
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Publications

  1. Kambham Devendra Reddy and Rajib Biswas, Theoretical spectroscopy of isotopically dilute water and hydrophobicity, J. Chem. Phys. 153, 094501, Sep 2020
  2. Salvi M, Raghunath Ozhapakkam Ramabhadran, and Sunil Kumar S, Theoretical Investigation of a Vital Step in the Gasphase Formation of Interstellar Ammonia: NH2+ + H2 → NH3+ + H, J. Phys. Chem. A 124, 8373, Sep 2020
  3. Roshni W Pereira and Raghunath O Ramabhadran, pK-Yay: A Black-Box Method using Density Functional Theory and Implicit Solvation Models to Compute Aqueous pKas of Weak and Strong Acids, J. Phys. Chem. A 124, 9061, Sep 2020
  4. Aarthi Ganesan, Sourav Banerjee, Pranawa C Deshmukh, and Steven T Manson, Photoionization of Xe 5s: angular distribution and Wigner time delay in the vicinity of the second Cooper minimum, J. Phys. B: At. Molec. Opt. Phys. 53, 225206, Oct 2020
  5. Padmabati Mondal, In silico decryption of serotonin–receptor binding: local non-covalent interactions and long-range conformational changes, RSC Adv. 10, 37995, Oct 2020
  6. Dipayan Chakraborty and Dhananjay Nandi, Absolute dissociative electron attachment cross-section measurement of difluoromethane, Phys. Rev. A 102, 052801, Nov 2020
  7. P C Deshmukh and Sourav Banerjee, Time delay in atomic and molecular collisions and photoionisation/photodetachment, Int. Rev. Phys. Chem. 40, 127, Nov 2020
  8. Souren Adhikary, Sudipta Dutta, and Sasmita Mohakud, Antiferromagnetic spin ordering in two-dimensional honeycomb lattice of SiP3, Nanoscale Adv. 3, 2217, Mar 2021
  9. R. Püttner, J. B. Martins, T. Marchenko, O. Travnikova, R. Guillemin, L. Journel, I. Ismail, G. Goldsztejn, D. Koulentianos, D. Ceolin, M. L. M. Rocco, M. N. Piancastelli, M. Simon, D. A. Keating, C. R. Munasinghe, P. C. Deshmukh, and S. T. Manson, Nonstatistical behavior of the photoionization of spin–orbit doublets, J. Phys. B: At. Mol. Opt. Phys. 54, 085001, May 2021
  10. Ankur Mandal, Pranawa C Deshmukh, and Kamal P Singh, Controlling high harmonic generation using inhomogeneous two-color driving laser pulse, Laser Physics 31, 075302, May 2021
  11. P C Deshmukh, J Jose, H R Varma, and S Manson, Electronic structure and dynamics of confined atoms, Eur. Phys. J. D 75, 166, May 2021
  12. S. S. Baghel, S. Gupta, R. K. Gangwar, and R. Srivastava, Diagnostics of Laser-Produced Mg Plasma through a Detailed Collisional Radiative Model with Reliable Electron Impact Fine Structure Excitation Cross-Sections and Self-Absorption Intensity Correction, Plasma Sources Sci. Technol. 30, 055010, May 2021
  13. J. Ananthanarasimhan, R. K. Gangwar, P. Leelesh, P. S. N. S. R. Srikar, A. M. Shivapuji, and L. Rao, Estimation of Electron Density and Temperature in an Argon Rotating Gliding Arc Using Optical and Electrical Measurements, J. Appl. Phys. 129, 223301, Jun 2021
  14. Sourav Banerjee, G. Aarthi, Soumyajit Saha, Aravind Gopalan, P.C. Deshmukh, Time delay in negative ion photodetachment, Phys. Scr., 96, 114005, Jul 2021
  15. Gayathry Rajeevan, Salvi Mohandas, and S Sunil Kumar, Numerical simulations of storage and thermometry of small biomolecular ions in a 16-pole ion trap and a 16-wire ion trap, Phys. Scr. 96, 124001, Aug 2021
  16. P.C. Deshmukh, Aarthi Ganesan, Sourav Banerjee, and Ankur Mandal, Accidental Degeneracy of the Hydrogen Atom and its Non-accidental Solution in Parabolic Coordinates, Can. J. Phys., 99, 853, Jun 2021
  17. R. Rafeek and D. Mondal, Noise-Induced Symmetry Breaking of Self-Regulators: Nonequilibrium Transition toward Homochirality, J. Chem. Phys. 154, 244906, Jun 2021.
  18. A. Maignan, L. Prabhat Reddy, S. Jeevanandam, P. C. Deshmukh, Ken Roberts, Najeh Jisrawi, and S. R. Valluri, The electronic properties of graphene nanoribbons and the offset logarithm function, Materials Today: Proceedings, Jun 2021 (In press)
  19. P.C. Deshmukh, S. Banerjee, A. Mandal, and S. T. Manson, Eisenbud–Wigner–Smith time delay in atom–laser interactions, Eur. Phys. J. Spec., Jul 2021
  20. D. Müll, F. Grussie, K. Blaum, S. George, J. Göck, M. Grieser, R. von Hahn, Z. Harman, Á. Kálosi, C. H. Keitel, C. Krantz, C. Lyu, O. Novotný, F. Nuesslein, D. Paul, V. C. Schmidt, S. Singh, S. Sunil Kumar, X. Urbain, A. Wolf, and H. Kreckel, Metastable states of Si- observed in a cryogenic storage ring, Phys. Rev. A, 104, 032811, Sep 2021
  21. T. Debnath, P. Chaudhury, T. Mukherjee, D. Mondal, and P. K. Ghosh, Escape Kinetics of Self-Propelled Particles from a Circular Cavity, J. Chem. Phys. 155, 194102, Nov 2021.
  22. S. Y. Ali, R. Rafeek, and D. Mondal, Geometric Brownian Information Engine: Upper Bound of the Achievable Work under Feedback Control, J. Chem. Phys. 156, 014902, Jan 2022.
  23. G. K, A. R. Thomas, T. S. Vyjayanthi, and S. S. Mandal, Structural and Thermodynamic Insights into the Cren7 Mediated DNA Organization in Crenarchaeota, Phys. Chem. Chem. Phys. (2022).
  24. A. R. Thomas, K. Swetha, A. C K, R. Ashraf, J. Kumar, S. Kumar, and S. S. Mandal, Protein Fibril Assisted Chiral Assembly of Gold Nanorods, J. Mater. Chem. B Mater. Biol. Med. (2022)
  25. P. Mondal, P.-A. Cazade, A. K. Das, T. Bereau, and M. Meuwly, Multipolar Force Fields for Amide-I Spectroscopy from Conformational Dynamics of the Alanine Trimer, J. Phys. Chem. B, 125, 10928 (2021)
  26. K. A. Dubey and J. Jose, Elastic Electron Scattering from Ar@C60 Z+: Dirac Partial-Wave Analysis, J. Phys. B At. Mol. Opt. Phys., 54, 115204 (2021)
  27. S. Saha and J. Jose, Sensitivity of Correlation Effects and Shannon Entropy in Be@C60 to the Nature of Confinement Potentials, Phys. Scr., 96, 094012 (2021)
  28. A. Thuppilakkadan, J. Jose, and H. R. Varma, Photoionization Dynamics of Ar Trapped in a Fullerene Anion: Coulomb Confinement Resonances in 2s Subshell and Its Impact on the 3s Subshell, Phys. Scr., 96, 104004 (2021)
  29. K. A. Dubey and J. Jose, Effect of Charge Transfer on Elastic Scattering of Electron from Ar@C60: Dirac Partial Wave Calculation, The European Physical Journal Plus, 136, 713 (2021)
  30. A. Thuppilakkadan, J. Jose, and H. R. Varma, Confinement Enhanced Spin–orbit Interchannel Coupling Effect on the Atomic Photoionization, J. Phys. B At. Mol. Opt. Phys., 54, 145001 (2021)
  31. S. Adhikary, S. Mohakud, and S. Dutta, Engineering Anisotropic Klein Tunneling in Black Phosphorene through Elemental Substitution, Phys. Status Solidi B Basic Res., 258, 2100071 (2021)
  32. S. M. Allabakshi, P. S. N. S. R. Srikar, R. K. Gangwar, and S. M. Maliyekkal, Feasibility of Surface Dielectric Barrier Discharge in Wastewater Treatment: Spectroscopic Modeling, Diagnostic, and Dye Mineralization, Sep. Purif. Technol., 296, 121344 (2022)
  33. S. S. Baghel, N. Şahin, A. Agrawal, R. K. Gangwar, M. Tanışlı, and R. Srivastava, Diagnostic Study of Capacitively Coupled Neon Rf Plasma with Traces of O2/H2 at Intermediate Pressure, J. Phys. D Appl. Phys., 55, 295201 (2022)
  34. S. Sarswat, R. Aiswarya, and J. Jose, Shannon Entropy of Resonant Scattered State in the e–C60 Elastic Collision, J. Phys. B At. Mol. Opt. Phys., 55, 055003 (2022)
  35. N. M. Hosea, J. Jose, and H. R. Varma, Near-Threshold Cooper Minimum in the Photoionisation of the 2p Subshell of Sodium Atom and Its Impact on the Angular Distribution Parameter, J. Phys. B At. Mol. Opt. Phys., 55, 135001 (2022)
  36. S. Saha, S. Banerjee, and J. Jose, Impact of Charge Migration and the Angle-Resolved Photoionization Time Delays of the Free and Confined Atom X@C60, Atoms Peace Int. J., 10, 44 (2022)
  37. S. Baral, S. Saha, K. A. Dubey, J. Jose, P. C. Deshmukh, A. K. Razavi, and S. T. Manson, Unusual Behavior of Cooper Minima of Ns Subshells in High-Z Atoms, Phys. Rev. A, 105, 062819 (2022)
  38. S. S. Baghel, R. K. Gangwar, and R. Srivastava, Diagnostics of Ne – Ar Mixture Plasma Using a Fine‐structure Resolved Collisional Radiative Model, Contrib. Plasma Phys., 62, (2022)
  39. P. C. Deshmukh, S. Ghosh, U. Kumar, C. Hareesh, and G. Aravind, A Primer on Path Integrals, Aharonov–Bohm Effect and the Geometric Phase, The Phys. Educat., 04, 2250005 (2022)
  40. S. Karmakar and S. Dutta, Strain-Tuneable Photocatalytic Ability of BC6N Monolayer: A First Principle Study, Comput. Mater. Sci., 202, 111002 (2022)
  41. S. Mondal, S. R. Das, L. Sahoo, S. Dutta, and U. K. Gautam, Light-Induced Hypoxia in Carbon Quantum Dots and Ultrahigh Photocatalytic Efficiency J. Am. Chem. Soc., 144, 2580 (2022)
  42. M. K. Yadav, S. No. Sangitra, N. Panwar, T. Rimza, R. K. Pujala, and P. Kumar, Aspect ratio dependent viscoelastic properties of graphene oxide liquid crystals Materials Chemistry and Physics, 287, 126305 (2022)
  43. Hemanth Dinesan, S. Sunil Kumar, Laser-Induced Fluorescence (LIF) Spectroscopy of Trapped Molecular Ions in the Gas Phase Appl. Spectrosc., (2022, In Press)

  1. A. Sharma et. al, Sawtooth-wave adiabatic-passage slowing of dysprosium, Phys. Rev. A 99, 063414, Jun 2019.
  2. A. Sharma et al., Optical control of resonant light transmission for an atom-cavity system, Phys. Rev. A 91, 043824, Apr 2015.
  3. A. Sharma et al., Nonequilibrium Quantum Magnetism in a Dipolar Lattice Gas, Phys. Rev. Lett. 111, 185305, Oct 2013.
  4. A. Sharma et al., Cooling and stabilization by collisions in a mixed ion–atom system, Nature Communications 3, 1126, Oct 2012.
  5. A. Sharma et al., Probing spin dynamics from the Mott insulating to the superfluid regime in a dipolar lattice gas, Phys. Rev. A 93, 021603(R), Feb 2016
  6. P. C. Deshmukh et al., Wigner-Eisenbud-Smith photoionization time delay due to autoioinization resonances, J. Phys. B: Atomic, Molecular and Optical Physics 51, 065008, March (2018).
  7. P. C. Deshmukh et al., Strong dependence of photoionization time delay on energy and angle in the neighborhood of Fano resonances, Phys. Rev. A 99, 013416, Jan 2019.
  8. P. C. Deshmukh et al., Wigner time delay in photodetachment, Phys. Rev. A 99, 043407, Apr 2019.
  9. P. C. Deshmukh et al., Dominance of correlation and relativistic effects on photodetachment time delay well above threshold, Phys. Rev. A 99, 063413, Jun 2019.
  10. P. C. Deshmukh et al., An Analytic Study of the Wiedemann-Franz Law and the Thermoelectric Figure of Merit, Journal of Physics Communications 3, 105001, Oct 2019.
  11. P. Mondal et al., Impact of the redox state of flavin chromophores on the UV–vis spectra, redox and acidity constants and electron affinities, J. Photochem. Photobiol. A: Chemistry 387, 112164, Oct 2019.
  12. P. Mondal and M. Huix-Rotllant, Theoretical insights into the formation and stability of radical oxygen species in cryptochromes, Phys. Chem. Chem. Phys. 21, 8874, Apr 2019.
  13. P. Mondal et al., Azobenzene as a photoregulator covalently attached to RNA: a quantum mechanics/molecular mechanics-surface hopping dynamics study, Chem. Sci. 9, 4671, Apr 2018.
  14. P. Mondal et al., Ab initio study of dynamical E × e Jahn-Teller and spin-orbit coupling effects in the transition-metal trifluorides TiF3, CrF3, and NiF3, J. Chem. Phys. 136, 084308, Jan 2012.
  15. Raghunath O. Ramabhadran et al., Weak Interactions in Interstellar Chemistry: How Do Open Shell Molecules Interact with Closed Shell Molecules?, ACS Earth Space Chem. 3, 1080, Apr 2019.
  16. Raghunath O. Ramabhadran et al., How an early or late transition state impacts the stereoselectivity of tetrahydropyran formation by intramolecular oxa-Michael addition, Org. Biomol. Chem. 17, 6293, Jun 2019.
  17. Raghunath O. Ramabhadran et al., Mechanistic Insights of Cu(II)-Mediated ortho-C-H Amination of Arenes by Capturing Fleeting Intermediates and Theoretical Calculations, Chem. Commun. 55, 9359, Jul 2019
  18. Raghunath O. Ramabhadran et al., Metal-Ion- and Hydrogen-Bond-Mediated Interstellar Prebiotic Chemistry: The First Step in the FormoseReaction, J. Phys. Chem. A 121, 8659, Oct 2017.
  19. R. K. Gangwar et al., Autoresonance Cooling of Ions in an Electrostatic Ion Beam Trap, Physical Review Letters 119, 103202, Sep 2017.
  20. R. K. Gangwar et al., Modeling of laser produced Zn plasma with detailed electron impact fine structure excitation cross-sections, Plasma Sources Sci. Technol. 28, 095009, Sep 2019.
  21. R. K. Gangwar et al., Nanoparticle synthesis by high-density plasma sustained in liquid organosilicon precursors, Journal of Applied Physics 122, 243301, Dec 2017.
  22. R. K. Gangwar et al., Spectroscopic diagnostic of low pressure inductively coupled Kr plasma using a collisional radiative model with fully relativistic cross sections, Plasma Sources Science & Technology 25, 035025, May 2016.
  23. R. K. Gangwar et al., Determination of the electron temperature in plane-to-plane He dielectric barrier discharges at atmospheric pressure, Plasma Sources Sci. Technol. 25, 015011, Dec 2015.
  24. S. Sunil Kumar et al., Low temperature rates for key steps of interstellar gas-phase water formation, Sci. Advances 4, eaar3417, Jun 2018.
  25. S. Sunil Kumar et al., Photofragmentation mechanisms in protonated chiral cinchona alkaloids, Phys. Chem. Chem. Phys. 18, 22668, Jul 2016.
  26. S. Sunil Kumar et al., Photodetachment as a destruction mechanism for CN– and C3N– anions in circumstellar envelopes, ApJ 776, Sep 2013.
  27. S. Sunil Kumar et al., UV photodissociation dynamics of deprotonated 2'-deoxyadenosine 5'-monophosphate [5'-dAMP-H]– , J. Phys. Chem. A 115 10383, Jul 2011.
  28. S. S. Mandal et al., Nanomechanics of the substrate binding domain of Hsp70 determine its allosteric ATP-induced conformational change, Proc. Natl. Acad. Sci. U S A. 114, 6040, Jun 2017.
  29. S. S. Mandal et al., Knotting and Unknotting of a Protein in Single Molecule Experiments, Proc. Natl. Acad. Sci. U S A. 113, 7533, Jul 2016.
  30. V. P. Majety et al., Evidence of Extreme Ultraviolet Superfluorescencein Xenon Physical review letters 123, 023201, Jul 2019.
  31. V. P. Majety et al., Multielectron effects in strong-field ionization of CO2: Impact on differential photoelectron spectra, Phys. Rev. A 96 , 053421, Nov 2017.
  32. V. P. Majety et al., Dynamic Exchange in the Strong Field Ionization of Molecules Phys. Rev. Lett. 115, 103002, Sep 2015.
  33. V. P. Majety et al., Anomalous Fano Profiles in External Fields, Phys. Rev. Lett. 115, 243001, Dec 2015.
  34. V. P. Majety et al., Photoionization of few electron systems: a hybrid coupled channels approach, New J. Phys. 17, 063002, Jun 2015.
  35. S. Aravinda et al., From Dual-Unitary to Quantum Bernoulli Circuits: Role of the Entangling Power in Constructing a Quantum Ergodic Hierarchy, Phys. Rev. Research. 3, 043034, 2021.
  36. S. Aravinda et al., Creating ensembles of dual unitary and maximally entangling quantum evolutions, Phys. Rev. Lett. 125, 070501, 2020.
  37. S. Aravinda et al., Hierarchical axioms for quantum mechanics, Eur. Phys. J. D 73, 207, 2019.
  38. S. Aravinda, Ruling out the class of statistical processes involving two noninteracting identicalparticles in two modes, Phys. Rev. A 100, 012121, 2019.
  39. S. Aravinda et al., Exclusivity principle and unphysicality of Garg-Mermin correlation, Phys. Rev. A 98, 012116, 2018.
  40. Nibedita Pal et al., Single-Molecule FRET: A Tool to Characterize DNA Nanostructures, Front. Mol. Biosci. 9, 835617, 2022.
  41. Nibedita Pal, Regulating DNA Self-Assembly Dynamics with Controlled Nucleation, ACS Nano 15, 5384, 2021.
  42. Nibedita Pal, Single Bacterial Resolvases First Exploit, Then Constrain Intrinsic Dynamics of The Holliday Junction to Direct Recombination, Nucleic Acids Research 49, 2803, 2021.
  43. Nibedita Pal, A Bio-hybrid DNA Rotor/Stator Nanoengine That Moves Along Predefined Tracks, Nature Nanotechnology 13, 496, 2018.
  44. Nibedita Pal, 5. Ras Hyperactivation Versus Overexpression: Lessons from Ras Dynamics in Candida Albicans, Scientific Reports 8, 5248, 2018.
  45. S. Sanyal et al., Emergent moments and random singlet physics in a Majorana spin liquid, Phys. Rev. Lett. 127, 127201, 2021.
  46. S. Sanyal et al., Interplay of uniform (1) quantum spin liquid and magnetic phases in rare-earth pyrochlore magnets: A fermionic parton approach, Phys. Rev. B 99, 134425, 2019.
  47. S. Sanyal et al., Anomalous transport in the Aubry-André-Harper model in isolated and open systems, A Purkayastha, Phys. Rev. B 97, 174206, 2018.
  48. S. Sanyal et al., Quantum chaos and holographic tensor models, J. High Energy Phys. 3, 56, 2017.
  49. S. Sanyal et al., Vacancy-induced low-energy states in undoped graphene, Phys. Rev. Lett. 117, 116806, 2016.
  50. T. Kanagasekaran et al., Impact of Furan Substitution on the Optoelectronic Properties of Biphenylyl/Thiophene Derivatives for Light-Emitting Transistors, J. Phys. Chem. A 126, 600, 2022.
  51. T. Kanagasekaran et al., A DFT study on the electronic and photophysical properties of biphenylyl/thiophene derivatives for organic light emitting transistors, Mater. Today Commun. 25, 101509, 2020.
  52. T. Kanagasekaran et al., A new electrode design for ambipolar injection in organic semiconductors, Nat. Commun. 8, 999, 2017.
  53. T. Kanagasekaran et al., Equivalent ambipolar carrier injection of electrons and holes with Au electrodes in air stable field effect transistors, Appl. Phys. Lett. 107, 043304, 2015.
  54. T. Kanagasekaran et al., Single Crystal Biphenyl End-Capped Furan- Incorporated Oligomers: markable Furan-Effect on Carrier Mobility and Luminescences, J. Mater. Chem. C 1, 4163, 2013.