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Rahul Sharma - Publications

Affiliations: 
St. Xavier's College 
Area:
Genetic Algorithm, Global Optimization methods, Physical Chemistry, Theoretical Chemistry
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26 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2021 Ghosh S, Sharma R, Adhikari S, Varandas AJC. Dynamical calculations of O(P) + OH(Π) reaction on the CHIPR potential energy surface using the fully coupled time-dependent wave-packet approach in hyperspherical coordinates. Physical Chemistry Chemical Physics : Pccp. PMID 34550126 DOI: 10.1039/d1cp02488d  0.597
2020 Ghosh K, Sharma R, Chaudhury P. 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. Physical Chemistry Chemical Physics : Pccp. PMID 32324181 DOI: 10.1039/C9Cp06947J  0.657
2019 Ghosh S, Sharma R, Adhikari S, Varandas AJC. Fully coupled (J > 0) time-dependent wave-packet calculations using hyperspherical coordinates for the H + O reaction on the CHIPR potential energy surface. Physical Chemistry Chemical Physics : Pccp. PMID 31483425 DOI: 10.1039/C9Cp03171E  0.659
2017 Ghosh S, Sharma R, Adhikari S, Varandas AJC. 3D time-dependent wave-packet approach in hyperspherical coordinates for the H + O2 reaction on the CHIPR and DMBE IV potential energy surfaces. Physical Chemistry Chemical Physics : Pccp. PMID 29214271 DOI: 10.1039/C7Cp06254K  0.648
2017 Ghosh S, Mukherjee S, Mukherjee B, Mandal S, Sharma R, Chaudhury P, Adhikari S. 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. The Journal of Chemical Physics. 147: 074105. PMID 28830157 DOI: 10.1063/1.4998406  0.739
2017 Ghosh S, Sharma R, Adhikari S, Varandas AJ. Coupled 3D time-dependent quantum wave-packet study of the O + OH reaction in hyperspherical coordinates on the CHIPR potential energy surface Chemical Physics Letters. 675: 85-91. DOI: 10.1016/J.Cplett.2017.03.003  0.719
2015 Talukder S, Sen S, Shandilya BK, Sharma R, Chaudhury P, Adhikari S. 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. The Journal of Chemical Physics. 143: 144109. PMID 26472365 DOI: 10.1063/1.4932333  0.67
2015 Ghosh S, Sahoo T, Adhikari S, Sharma R, Varandas AJ. Coupled 3D Time-Dependent Wave-Packet Approach in Hyperspherical Coordinates: The D(+)+H2 Reaction on the Triple-Sheeted DMBE Potential Energy Surface. The Journal of Physical Chemistry. A. PMID 26436891 DOI: 10.1021/Acs.Jpca.5B07718  0.713
2015 Sahoo T, Ghosh S, Adhikari S, Sharma R, Varandas AJ. Low-temperature D(+) + H2 reaction: a time-dependent coupled wave-packet study in hyperspherical coordinates. The Journal of Chemical Physics. 142: 024304. PMID 25591350 DOI: 10.1063/1.4905379  0.694
2014 Sahoo T, Ghosh S, Adhikari S, Sharma R, Varandas AJ. Coupled 3D time-dependent wave-packet approach in hyperspherical coordinates: application to the adiabatic singlet-state(1(1)A') D(+) + H2 reaction. The Journal of Physical Chemistry. A. 118: 4837-50. PMID 24918479 DOI: 10.1021/Jp5035739  0.705
2014 Talukder S, Sen S, Sharma R, Banik SK, Chaudhury P. A generalized recipe to construct elementary or multi-step reaction paths via a stochastic formulation: Application to the conformational change in noble gas clusters Chemical Physics. 431: 5-14. DOI: 10.1016/J.Chemphys.2013.12.010  0.635
2014 Biring SK, Sharma R, Chaudhury P. A new adaptive mutation simulated annealing algorithm: Application to the study of pure and mixed Pt-Pd clusters Journal of Mathematical Chemistry. 52: 368-397. DOI: 10.1007/S10910-013-0268-Y  0.605
2013 Biring SK, Sharma R, Misra R, Chaudhury P. Structural and Infra Red Spectroscopic Aspects of Ion-Water Clusters: A Study Based on a Combined Stochastic and Quantum Chemical Approach Journal of Cluster Science. 24: 715-737. DOI: 10.1007/S10876-013-0565-4  0.716
2011 Sharma R, Nandy S, Chaudhury P, Bhattacharyya SP. A density-genetic algorithm method for computing electronic structures of doped and undoped polythiophene oligomers: A modified su-schrieffer-heeger hamiltonian-based study Materials and Manufacturing Processes. 26: 354-362. DOI: 10.1080/10426914.2010.526976  0.634
2011 Nandy S, Sharma R, Bhattacharyya SP. Solving symmetric eigenvalue problem via genetic algorithms: Serial versus parallel implementation Applied Soft Computing Journal. 11: 3946-3961. DOI: 10.1016/J.Asoc.2011.02.024  0.308
2010 Sarkar K, Sharma R, Bhattacharyya SP. Blending Determinism with Evolutionary Computing: Applications to the Calculation of the Molecular Electronic Structure of Polythiophene. Journal of Chemical Theory and Computation. 6: 718-26. PMID 26613302 DOI: 10.1021/Ct900540D  0.349
2010 Misra R, Sharma R, Bhattacharyya S. Exploring NLO response of 9,10- donor-acceptor substituted Bichromophoric Anthracene Derivatives Journal of Computational Methods in Sciences and Engineering. 10: 149-164. DOI: 10.3233/Jcm-2010-0316  0.627
2010 Sardar S, Paul AK, Sharma R, Adhikari S. A “classical” trajectory driven nuclear dynamics by a parallelized quantum-classical approach to a realistic model Hamiltonian of benzene radical cation International Journal of Quantum Chemistry. 111: 2741-2759. DOI: 10.1002/Qua.22578  0.605
2009 Pal S, Sharma R, Goswami B, Sarkar P, Bhattacharyya SP. A search for lowest energy structures of ZnS quantum dots: Genetic algorithm tight-binding study. The Journal of Chemical Physics. 130: 214703. PMID 19508083 DOI: 10.1063/1.3142528  0.571
2009 Sardar S, Paul AK, Sharma R, Adhikari S. The multistate multimode vibronic dynamics of benzene radical cation with a realistic model Hamiltonian using a parallelized algorithm of the quantumclassical approach. The Journal of Chemical Physics. 130: 144302. PMID 19368440 DOI: 10.1063/1.3108488  0.59
2009 Sharma R, Saha R, Nandy S, Bhattacharyya SP, Chaudhury P. Computation of molecular electronic structure by genetic algorithm Materials and Manufacturing Processes. 24: 155-161. DOI: 10.1080/10426910802612197  0.721
2009 Pal S, Sharma R, Goswami B, Sarkar P. Theoretical prediction of ring structures for ZnS quantum dots Chemical Physics Letters. 467: 365-368. DOI: 10.1016/J.Cplett.2008.11.070  0.566
2008 Sharma R, Nandy S, Bhattacharyya SP. On solving energy-dependent partitioned real symmetric matrix eigenvalue problem by a parallel genetic algorithm Journal of Theoretical and Computational Chemistry. 7: 1103-1120. DOI: 10.1142/S0219633608004428  0.318
2008 Nandy S, Chaudhury P, Sharma R, Bhattacharyya SP. A density-matrix-based simulated annealing (SA) technique for locating minimum energy structures on the neutral polythiophene potential energy surface Journal of Theoretical and Computational Chemistry. 7: 977-987. DOI: 10.1142/S0219633608004234  0.627
2007 Ghosh M, Sharma R, Bhattacharyya SP. Target excitation in 2-D quantum dots by optimized chirped pulses Chemical Physics Letters. 449: 165-170. DOI: 10.1016/J.Cplett.2007.10.020  0.322
2006 Sharma R, Nandy S, Bhattacharyya SP. On solving energy-dependent partitioned eigenvalue problem by genetic algorithm: The case of real symmetric Hamiltonian matrices Pramana - Journal of Physics. 66: 1125-1130. DOI: 10.1007/Bf02708466  0.332
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