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Arindam Chakraborty, Ph.D. - Publications

Affiliations: 
2009- Chemistry Syracuse University, Syracuse, NY, United States 
Area:
Physical and theoretical chemistry; quantum dots; nanomaterials
Website:
http://ari.syr.edu/
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42 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
2023 Ji J, Carpentier B, Chakraborty A, Nangia S. An Affordable Topography-Based Protocol for Assigning a Residue's Character on a Hydropathy (PARCH) Scale. Journal of Chemical Theory and Computation. PMID 37018141 DOI: 10.1021/acs.jctc.3c00106  0.508
2022 Spanedda N, McLaughlin PF, Beyer JJ, Chakraborty A. Investigation of Ionization Potential in Quantum Dots Using the Stratified Stochastic Enumeration of Molecular Orbitals Method. Journal of Chemical Theory and Computation. PMID 36136935 DOI: 10.1021/acs.jctc.2c00329  0.68
2020 McLaughlin PF, Chakraborty A. Compact real-space representation of excited states using frequency-dependent explicitly-correlated electron-hole interaction kernel. Journal of Chemical Theory and Computation. PMID 32667791 DOI: 10.1021/Acs.Jctc.9B01238  0.698
2020 Hofman E, Khammang A, Wright JT, Li ZJ, McLaughlin PF, Davis AH, Franck JM, Chakraborty A, Meulenberg RW, Zheng W. Decoupling and Coupling of the Host-Dopant Interaction by Manipulating Dopant Movement in Core/Shell Quantum Dots. The Journal of Physical Chemistry Letters. PMID 32633980 DOI: 10.1021/Acs.Jpclett.0C01861  0.618
2020 Scher JA, Govind N, Chakraborty A. Evidence of Skewness and Sub-Gaussian Character in Temperature-Dependent Distributions of One Million Electronic Excitation Energies in PbS Quantum Dots. The Journal of Physical Chemistry Letters. PMID 31927924 DOI: 10.1021/Acs.Jpclett.9B03103  0.797
2018 Reddy GN, Parida R, Chakraborty A, Giri S. Deltahedral Organo-Zintl Superhalogens. Chemistry (Weinheim An Der Bergstrasse, Germany). PMID 30011359 DOI: 10.1002/Chem.201802713  0.32
2018 Scher JA, Bayne MG, Srihari A, Nangia S, Chakraborty A. Development of effective stochastic potential method using random matrix theory for efficient conformational sampling of semiconductor nanoparticles at non-zero temperatures. The Journal of Chemical Physics. 149: 014103. PMID 29981557 DOI: 10.1063/1.5026027  0.739
2018 Bayne MG, Scher JA, Ellis BH, Chakraborty A. Linked-cluster formulation of electron-hole interaction kernel in real-space representation without using unoccupied states. Journal of Chemical Theory and Computation. PMID 29782165 DOI: 10.1021/Acs.Jctc.8B00123  0.756
2018 Parida R, Reddy GN, Ganguly A, Roymahapatra G, Chakraborty A, Giri S. On the making of aromatic organometallic superalkali complexes. Chemical Communications (Cambridge, England). PMID 29610800 DOI: 10.1039/C8Cc01170B  0.321
2017 Ellis BH, Chakraborty A. Investigation of Many-Body Correlation in Biexcitonic Systems Using Electron–Hole Multicomponent Coupled-Cluster Theory Journal of Physical Chemistry C. 121: 1291-1298. DOI: 10.1021/Acs.Jpcc.6B09443  0.748
2016 Bayne MG, Uchida Y, Eller J, Daniels C, Chakraborty A. Construction of explicitly correlated geminal-projected particle-hole creation operators for many-electron systems using the diagrammatic factorization approach Physical Review A. 94: 52504. DOI: 10.1103/Physreva.94.052504  0.777
2016 Scher JA, Elward JM, Chakraborty A. Shape Matters: Effect of 1D, 2D, and 3D Isovolumetric Quantum Confinement in Semiconductor Nanoparticles Journal of Physical Chemistry C. 120: 24999-25009. DOI: 10.1021/Acs.Jpcc.6B06728  0.743
2015 Ellis BH, Aggarwal S, Chakraborty A. Development of the multicomponent coupled-cluster theory for investigation of multiexcitonic interactions. Journal of Chemical Theory and Computation. PMID 26653409 DOI: 10.1021/Acs.Jctc.5B00879  0.747
2015 Elward JM, Chakraborty A. Effect of Heterojunction on Exciton Binding Energy and Electron-Hole Recombination Probability in CdSe/ZnS Quantum Dots. Journal of Chemical Theory and Computation. 11: 462-471. PMID 26580906 DOI: 10.1021/Ct500548X  0.818
2015 Elward JM, Chakraborty A. Effect of heterojunction on exciton binding energy and electron-hole recombination probability in CdSe/ZnS quantum dots Journal of Chemical Theory and Computation. 11: 462-471. DOI: 10.1021/ct500548x  0.798
2014 Elward JM, Irudayanathan FJ, Nangia S, Chakraborty A. Optical Signature of Formation of Protein Corona in the Firefly Luciferase-CdSe Quantum Dot Complex. Journal of Chemical Theory and Computation. 10: 5224-8. PMID 26583205 DOI: 10.1021/Ct500681M  0.781
2014 Bayne MG, Drogo J, Chakraborty A. Infinite-order diagrammatic summation approach to the explicitly correlated congruent transformed Hamiltonian Physical Review A. 89: 32515. DOI: 10.1103/Physreva.89.032515  0.776
2013 Elward JM, Chakraborty A. Effect of Dot Size on Exciton Binding Energy and Electron-Hole Recombination Probability in CdSe Quantum Dots. Journal of Chemical Theory and Computation. 9: 4351-9. PMID 26589152 DOI: 10.1021/Ct400485S  0.809
2013 Mielke SL, Chakraborty A, Truhlar DG. Vibrational configuration interaction using a tiered multimode scheme and tests of approximate treatments of vibrational angular momentum coupling: a case study for methane. The Journal of Physical Chemistry. A. 117: 7327-43. PMID 23565728 DOI: 10.1021/Jp4011789  0.65
2013 Blanton CJ, Brenon C, Chakraborty A. Development of polaron-transformed explicitly correlated full configuration interaction method for investigation of quantum-confined Stark effect in GaAs quantum dots. The Journal of Chemical Physics. 138: 054114. PMID 23406105 DOI: 10.1063/1.4789540  0.807
2013 Das R, Chakraborty A, Pan S, Chattaraj P. Aromaticity in Polyacenes and Their Structural Analogues Current Organic Chemistry. 17: 2831-2844. DOI: 10.2174/13852728113179990129  0.317
2012 Elward JM, Thallinger B, Chakraborty A. Calculation of electron-hole recombination probability using explicitly correlated Hartree-Fock method. The Journal of Chemical Physics. 136: 124105. PMID 22462833 DOI: 10.1063/1.3693765  0.818
2012 Elward JM, Hoja J, Chakraborty A. Variational solution of the congruently transformed Hamiltonian for many-electron systems using a full-configuration-interaction calculation Physical Review A. 86: 62504. DOI: 10.1103/Physreva.86.062504  0.797
2012 Elward JM, Hoffman J, Chakraborty A. Investigation of electron–hole correlation using explicitly correlated configuration interaction method Chemical Physics Letters. 535: 182-186. DOI: 10.1016/J.Cplett.2012.03.050  0.785
2011 Chakraborty A, Pak MV, Hammes-Schiffer S. Erratum: Development of Electron-Proton Density Functionals for Multicomponent Density Functional Theory [Phys. Rev. Lett.101, 153001 (2008)] Physical Review Letters. 106. DOI: 10.1103/Physrevlett.106.169902  0.53
2011 Chakraborty A, Truhlar DG, Bowman JM, Carter S. Erratum: “Calculation of converged rovibrational energies and partition function for methane using vibrational–rotational configuration interaction” [J. Chem. Phys. 121, 2071 (2004)] The Journal of Chemical Physics. 135: 119904. DOI: 10.1063/1.3630921  0.427
2011 Chakraborty A, Pak MV, Hammes-Schiffer S. Erratum: “Inclusion of explicit electron-proton correlation in the nuclear-electronic orbital approach using Gaussian-type geminal functions” [J. Chem. Phys. 129, 014101 (2008)] The Journal of Chemical Physics. 134: 079902. DOI: 10.1063/1.3555041  0.574
2009 Chakraborty A, Pak MV, Hammes-Schiffer S. Properties of the exact universal functional in multicomponent density functional theory. The Journal of Chemical Physics. 131: 124115. PMID 19791860 DOI: 10.1063/1.3236844  0.596
2009 Pak MV, Chakraborty A, Hammes-Schiffer S. Calculation of the positron annihilation rate in PsH with the positronic extension of the explicitly correlated nuclear-electronic orbital method. The Journal of Physical Chemistry. A. 113: 4004-8. PMID 19281179 DOI: 10.1021/Jp810410Y  0.558
2008 Chakraborty A, Hammes-Schiffer S. Density matrix formulation of the nuclear-electronic orbital approach with explicit electron-proton correlation. The Journal of Chemical Physics. 129: 204101. PMID 19045846 DOI: 10.1063/1.2998312  0.605
2008 Chakraborty A, Pak MV, Hammes-Schiffer S. Development of electron-proton density functionals for multicomponent density functional theory. Physical Review Letters. 101: 153001. PMID 18999594 DOI: 10.1103/Physrevlett.101.153001  0.602
2008 Chakraborty A, Pak MV, Hammes-Schiffer S. Inclusion of explicit electron-proton correlation in the nuclear-electronic orbital approach using Gaussian-type geminal functions. The Journal of Chemical Physics. 129: 014101. PMID 18624464 DOI: 10.1063/1.2943144  0.618
2007 Pak MV, Chakraborty A, Hammes-Schiffer S. Density functional theory treatment of electron correlation in the nuclear-electronic orbital approach. The Journal of Physical Chemistry. A. 111: 4522-6. PMID 17441701 DOI: 10.1021/Jp0704463  0.601
2007 Swalina C, Wang Q, Chakraborty A, Hammes-Schiffer S. Analysis of nuclear quantum effects on hydrogen bonding. The Journal of Physical Chemistry. A. 111: 2206-12. PMID 17388289 DOI: 10.1021/Jp0682661  0.771
2006 Swalina C, Pak MV, Chakraborty A, Hammes-Schiffer S. Explicit dynamical electron-proton correlation in the nuclear-electronic orbital framework. The Journal of Physical Chemistry. A. 110: 9983-7. PMID 16913669 DOI: 10.1021/Jp0634297  0.815
2006 Chakraborty A, Truhlar DG. Converged vibrational energy levels and quantum mechanical vibrational partition function of ethane. The Journal of Chemical Physics. 124: 184310. PMID 16709109 DOI: 10.1063/1.2193521  0.481
2006 Chakraborty A, Zhao Y, Lin H, Truhlar DG. Combined valence bond-molecular mechanics potential-energy surface and direct dynamics study of rate constants and kinetic isotope effects for the H + C2H6 reaction. The Journal of Chemical Physics. 124: 044315. PMID 16460170 DOI: 10.1063/1.2132276  0.575
2006 Ghosh D, Chakraborty A. Dipole Correlation of the Electronic Structures of theConformations of Water Molecule Evolving Through theNormal Modes of Vibrations Between Angular (C2v) to Linear(D∝h) Shapes International Journal of Molecular Sciences. 7: 71-96. DOI: 10.3390/I7030071  0.418
2005 Chakraborty A, Truhlar DG. Quantum mechanical reaction rate constants by vibrational configuration interaction: the OH + H2->H2O + H reaction as a function of temperature. Proceedings of the National Academy of Sciences of the United States of America. 102: 6744-9. PMID 15774583 DOI: 10.1073/Pnas.0408048102  0.457
2004 Chakraborty A, Truhlar DG, Bowman JM, Carter S. Calculation of converged rovibrational energies and partition function for methane using vibrational-rotational configuration interaction. The Journal of Chemical Physics. 121: 2071-84. PMID 15260761 DOI: 10.1063/1.1759627  0.466
2003 Jasper AW, Hack MD, Chakraborty A, Truhlar DG, Piecuch P. Erratum: “Photodissociation of LiFH and NaFH van der Waals complexes: A semiclassical trajectory study” [J. Chem. Phys. 115, 7945 (2001)] The Journal of Chemical Physics. 119: 9321-9321. DOI: 10.1063/1.1615236  0.737
2001 Jasper AW, Hack MD, Chakraborty A, Truhlar DG, Piecuch P. Photodissociation of LiFH and NaFH van der Waals complexes: A semiclassical trajectory study Journal of Chemical Physics. 115: 7945-7952. DOI: 10.1063/1.1407278  0.777
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