Rahul Sharma

发表

Structure elucidation and construction of isomerisation pathways in small to moderate-sized (6-27) MgO nanoclusters: an adaptive mutation simulated annealing based analysis with quantum chemical calculations.

P. Chaudhury, Kuntal Ghosh, Rahul Sharma, 2020, Physical chemistry chemical physics : PCCP.

A discussion of the pH-dependent protonation behaviors of poly(2-(dimethylamino)ethyl methacrylate) (PDMAEMA) and poly(ethylenimine-ran-2-ethyl-2-oxazoline) (P(EI-r-EOz)).

Rahul Sharma, Y. Won, Hoyoung Lee, 2011, The journal of physical chemistry. B.

The INV24 test set: how well do quantum-chemical methods describe inversion and racemization barriers?

Rahul Sharma, L. Goerigk, 2016 .

Coupled 3D time-dependent wave-packet approach in hyperspherical coordinates: application to the adiabatic singlet-state(1(1)A') D(+) + H2 reaction.

A. Varandas, Rahul Sharma, S. Adhikari, 2014, The journal of physical chemistry. A.

Dynamical calculations of O(3P) + OH(2Π) reaction on the CHIPR potential energy surface using the fully coupled time-dependent wave-packet approach in hyperspherical coordinates.

A. Varandas, Rahul Sharma, S. Adhikari, 2021, Physical chemistry chemical physics : PCCP.

Fully coupled (J > 0) time-dependent wave-packet calculations using hyperspherical coordinates for the H + O2 reaction on the CHIPR potential energy surface.

A. Varandas, Rahul Sharma, S. Adhikari, 2019, Physical chemistry chemical physics : PCCP.

3D time-dependent wave-packet approach in hyperspherical coordinates for the H + O2 reaction on the CHIPR and DMBE IV potential energy surfaces.

A. Varandas, Rahul Sharma, S. Adhikari, 2017, Physical chemistry chemical physics : PCCP.

Coupled 3D time-dependent quantum wave-packet study of the O + OH reaction in hyperspherical coordinates on the CHIPR potential energy surface

A. Varandas, Rahul Sharma, S. Adhikari, 2017 .

A generalized recipe to construct elementary or multi-step reaction paths via a stochastic formulation: Application to the conformational change in noble gas clusters

P. Chaudhury, Rahul Sharma, Srijeeta Talukder, 2014 .

ON SOLVING ENERGY-DEPENDENT PARTITIONED REAL SYMMETRIC MATRIX EIGENVALUE PROBLEM BY A PARALLEL GENETIC ALGORITHM

S. Bhattacharyya, Rahul Sharma, Subhajit Nandy, 2008 .

A search for lowest energy structures of ZnS quantum dots: Genetic algorithm tight-binding study.

S. Bhattacharyya, Rahul Sharma, Sougata Pal, 2009, The Journal of chemical physics.

A “classical” trajectory driven nuclear dynamics by a parallelized quantum-classical approach to a realistic model Hamiltonian of benzene radical cation

Rahul Sharma, S. Adhikari, Subhankar Sardar, 2011 .

Severe Dirac Mass Gap Suppression in Sb2Te3-based Quantum Anomalous Hall Materials.

Rahul Sharma, G. Gu, Xiaolong Liu, 2020, Nano letters.

Comprehensive Study of the Topological Surface States through Ultrafast Pump–Probe Spectroscopy

Rahul Sharma, Mahesh Kumar, V. Awana, 2022, The Journal of Physical Chemistry C.

Atomic-scale visualization of electronic fluid flow

Rahul Sharma, Xiaolong Liu, J. C. Davis, 2021, Nature Materials.

Discovery of a Cooper-pair density wave state in a transition-metal dichalcogenide

Rahul Sharma, Xiaolong Liu, J. C. Davis, 2020, Science.

Multi-atom quasiparticle scattering interference for superconductor energy-gap symmetry determination

Rahul Sharma, P. Hirschfeld, H. Eisaki, 2020, 2005.05140.

Enhancement of oxygen vacancy sites of La2-xMxCe2O7-δ (M = Ca, Ba, Sr) catalyst for the low temperature oxidative coupling of Methane: A combined DFT and experimental study

Rahul Sharma, R. Bal, D. Khurana, 2023, Chemical Engineering Journal.

Momentum-resolved superconducting energy gaps of Sr2RuO4 from quasiparticle interference imaging

Y. Maeno, Rahul Sharma, A. Kostin, 2019, Proceedings of the National Academy of Sciences.

Evidence for a vestigial nematic state in the cuprate pseudogap phase

Rahul Sharma, H. Eisaki, M. Lawler, 2019, Proceedings of the National Academy of Sciences.

Structural and Infra Red Spectroscopic Aspects of Ion-Water Clusters: A Study Based on a Combined Stochastic and Quantum Chemical Approach

P. Chaudhury, Rahul Sharma, R. Misra, 2013, Journal of Cluster Science.

Beyond Born-Oppenheimer theory for ab initio constructed diabatic potential energy surfaces of singlet H3+ to study reaction dynamics using coupled 3D time-dependent wave-packet approach.

P. Chaudhury, Rahul Sharma, Souvik Mandal, 2017, The Journal of chemical physics.

Low-temperature D(+) + H2 reaction: a time-dependent coupled wave-packet study in hyperspherical coordinates.

A. Varandas, Rahul Sharma, S. Adhikari, 2015, The Journal of chemical physics.

Enhancing the branching ratios in the dissociation channels for O(16)O(16)O(18) molecule by designing optimum laser pulses: A study using stochastic optimization.

P. Chaudhury, Rahul Sharma, S. Adhikari, 2015, The Journal of chemical physics.

Instability and pattern formation in reaction-diffusion systems: a higher order analysis.

S. Bhattacharyya, D. Ray, Rahul Sharma, 2007, The Journal of chemical physics.

Computation of Molecular Electronic Structure by Genetic Algorithm

Pinaki Chaudhury, Subhajit Nandy, P. Chaudhury, 2009 .

Direct search for wave operator by a Genetic Algorithm (GA): Route to few eigenvalues of a Hamiltonian

Rahul Sharma, S. P. Bhattacharyya, S. Bhattacharyya, 2007, 2007 IEEE Congress on Evolutionary Computation.

Exciton decay mechanism in DNA single strands: back-electron transfer and ultrafast base motions

M. Chergui, Rahul Sharma, M. Oppermann, 2022, Chemical science.

Ultrafast base rotations mediate a solvent-assisted back-electron transfer in UV-excited DNA single strands

M. Chergui, Rahul Sharma, M. Oppermann, 2021 .

Coupled 3D Time-Dependent Wave-Packet Approach in Hyperspherical Coordinates: The D(+)+H2 Reaction on the Triple-Sheeted DMBE Potential Energy Surface.

A. Varandas, Rahul Sharma, S. Adhikari, 2015, The journal of physical chemistry. A.

A new adaptive mutation simulated annealing algorithm: application to the study of pure and mixed Pt–Pd clusters

P. Chaudhury, Rahul Sharma, Shyamal Kumar Biring, 2013, Journal of Mathematical Chemistry.

The multistate multimode vibronic dynamics of benzene radical cation with a realistic model Hamiltonian using a parallelized algorithm of the quantumclassical approach.

Rahul Sharma, S. Adhikari, Subhankar Sardar, 2009, The Journal of chemical physics.

Target excitation in 2-D quantum dots by optimized chirped pulses

S. Bhattacharyya, Rahul Sharma, M. Ghosh, 2007 .

First-principles anharmonic quantum calculations for peptide spectroscopy: VSCF calculations and comparison with experiments.

T. K. Roy, Rahul Sharma, R. Gerber, 2016, Physical chemistry chemical physics : PCCP.

Theoretical prediction of ring structures for ZnS quantum dots

Rahul Sharma, Sougata Pal, P. Sarkar, 2009 .

A Density-Genetic Algorithm Method for Computing Electronic Structures of Doped and Undoped Polythiophene Oligomers: A Modified Su–Schrieffer–Heeger Hamiltonian-Based Study

Pinaki Chaudhury, Subhajit Nandy, S. Bhattacharyya, 2011 .

A DENSITY-MATRIX-BASED SIMULATED ANNEALING (SA) TECHNIQUE FOR LOCATING MINIMUM ENERGY STRUCTURES ON THE NEUTRAL POLYTHIOPHENE POTENTIAL ENERGY SURFACE

S. Bhattacharyya, P. Chaudhury, Rahul Sharma, 2008 .

The multistate multimode vibronic dynamics of benzene radical cation with a realistic model Hamiltonian using a parallelized algorithm of the quantumclassical approach.

Rahul Sharma, S. Adhikari, Subhankar Sardar, 2009, The Journal of chemical physics.

Evidence for a vestigial nematic state in the cuprate pseudogap phase

Rahul Sharma, H. Eisaki, M. Lawler, 2019, Proceedings of the National Academy of Sciences.