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Benjamin G. Levine - Publications

Affiliations: 
2011-2020 Michigan State University, East Lansing, MI 
 2020- Stony Brook University, Stony Brook, NY, United States 
Area:
Computational Studies of Photochemistry
Website:
https://www.stonybrook.edu/commcms/chemistry/faculty/_faculty-profiles/Levine_Benjamin.php
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Year Citation  Score
2024 Ibele LM, Memhood A, Levine BG, Avagliano D. Ab Initio Multiple Spawning Nonadiabatic Dynamics with Different CASPT2 Flavors: A Fully Open-Source PySpawn/OpenMolcas Interface. Journal of Chemical Theory and Computation. PMID 39228232 DOI: 10.1021/acs.jctc.4c00855  0.325
2022 Durden AS, Levine BG. Floquet Time-Dependent Configuration Interaction for Modeling Ultrafast Electron Dynamics. Journal of Chemical Theory and Computation. 18: 795-806. PMID 35073083 DOI: 10.1021/acs.jctc.1c01009  0.329
2021 Levine BG, Durden AS, Esch MP, Liang F, Shu Y. CAS without SCF-Why to use CASCI and where to get the orbitals. The Journal of Chemical Physics. 154: 090902. PMID 33685182 DOI: 10.1063/5.0042147  0.353
2020 Esch MP, Levine BG. Decoherence-corrected Ehrenfest molecular dynamics on many electronic states. The Journal of Chemical Physics. 153: 114104. PMID 32962354 DOI: 10.1063/5.0022529  0.475
2020 Fedorov DA, Seritan S, Fales BS, Martínez TJ, Levine BG. PySpawn: Software for Nonadiabatic Quantum Molecular Dynamics. Journal of Chemical Theory and Computation. PMID 32687710 DOI: 10.1021/Acs.Jctc.0C00575  0.782
2020 Esch MP, Levine BG. State-pairwise decoherence times for nonadiabatic dynamics on more than two electronic states. The Journal of Chemical Physics. 152: 234105. PMID 32571062 DOI: 10.1063/5.0010081  0.447
2019 Aldrich KE, Fales BS, Singh AK, Staples RJ, Levine BG, McCracken J, Smith MR, Odom AL. Electronic and Structural Comparisons between Iron(II/III) and Ruthenium(II/III) Imide Analogs. Inorganic Chemistry. PMID 31403782 DOI: 10.1021/Acs.Inorgchem.9B01672  0.751
2019 Fedorov DA, Levine BG. Nonadiabatic Quantum Molecular Dynamics in Dense Manifolds of Electronic States. The Journal of Physical Chemistry Letters. 4542-4548. PMID 31342748 DOI: 10.1021/Acs.Jpclett.9B01902  0.47
2019 Levine BG, Peng WT, Esch MP. Locality of conical intersections in semiconductor nanomaterials. Physical Chemistry Chemical Physics : Pccp. PMID 31106323 DOI: 10.1039/C9Cp01584A  0.366
2019 Esch MP, Shu Y, Levine BG. A Conical Intersection Perspective on the Low Nonradiative Recombination Rate in Lead Halide Perovskites. The Journal of Physical Chemistry. A. PMID 30843698 DOI: 10.1021/Acs.Jpca.9B00952  0.374
2019 Fedorov DA, Levine BG. A discontinuous basis enables numerically exact solution of the Schrödinger equation around conical intersections in the adiabatic representation. The Journal of Chemical Physics. 150: 054102. PMID 30736673 DOI: 10.1063/1.5058268  0.306
2019 Levine BG, Esch MP, Fales BS, Hardwick DT, Peng WT, Shu Y. Conical Intersections at the Nanoscale: Molecular Ideas for Materials. Annual Review of Physical Chemistry. PMID 30633637 DOI: 10.1146/Annurev-Physchem-042018-052425  0.784
2019 Peng W, Levine BG. Ab Initio Molecular Dynamics Study of the Interaction between Defects during Nonradiative Recombination The Journal of Physical Chemistry C. 123: 16588-16595. DOI: 10.1021/Acs.Jpcc.9B04673  0.455
2018 Ekanayake N, Nairat M, Weingartz NP, Michie MJ, Levine BG, Dantus M. Substituent effects on H formation via H roaming mechanisms from organic molecules under strong-field photodissociation. The Journal of Chemical Physics. 149: 244310. PMID 30599731 DOI: 10.1063/1.5065387  0.328
2018 Ekanayake N, Severt T, Nairat M, Weingartz NP, Farris BM, Kaderiya B, Feizollah P, Jochim B, Ziaee F, Borne K, Raju P K, Carnes KD, Rolles D, Rudenko A, Levine BG, et al. H roaming chemistry and the formation of H from organic molecules in strong laser fields. Nature Communications. 9: 5186. PMID 30518927 DOI: 10.1038/S41467-018-07577-0  0.303
2018 Peng WT, Fales BS, Levine BG. Simulating Electron Dynamics of Complex Molecules with Time-Dependent Complete Active Space Configuration Interaction. Journal of Chemical Theory and Computation. PMID 29986143 DOI: 10.1021/Acs.Jctc.8B00381  0.801
2018 Fales BS, Seritan S, Settje NF, Levine BG, Koch H, Martínez TJ. Large Scale Electron Correlation Calculations: Rank-Reduced Full Configuration Interaction. Journal of Chemical Theory and Computation. PMID 29889519 DOI: 10.1021/Acs.Jctc.8B00382  0.789
2018 Peng WT, Fales BS, Shu Y, Levine BG. Dynamics of recombination conical intersection in a semiconductor nanocrystal. Chemical Science. 9: 681-687. PMID 29629136 DOI: 10.1039/C7Sc04221C  0.815
2017 Fales BS, Shu Y, Levine BG, Hohenstein EG. Complete active space configuration interaction from state-averaged configuration interaction singles natural orbitals: Analytic first derivatives and derivative coupling vectors. The Journal of Chemical Physics. 147: 094104. PMID 28886625 DOI: 10.1063/1.5000476  0.801
2017 Shu Y, Fales BS, Peng WT, Levine BG. Understanding Non-Radiative Recombination through Defect-Induced Conical Intersections. The Journal of Physical Chemistry Letters. PMID 28799771 DOI: 10.1021/Acs.Jpclett.7B01707  0.798
2017 Fales BS, Hohenstein EG, Levine BG. Robust and Efficient Spin Purification for Determinantal Configuration Interaction. Journal of Chemical Theory and Computation. PMID 28772070 DOI: 10.1021/Acs.Jctc.7B00466  0.782
2017 Ekanayake N, Nairat M, Kaderiya B, Feizollah P, Jochim B, Severt T, Berry B, Pandiri KR, Carnes KD, Pathak S, Rolles D, Rudenko A, Ben-Itzhak I, Mancuso CA, Fales BS, ... ... Levine BG, et al. Mechanisms and time-resolved dynamics for trihydrogen cation (H3(+)) formation from organic molecules in strong laser fields. Scientific Reports. 7: 4703. PMID 28680157 DOI: 10.1038/S41598-017-04666-W  0.766
2017 Nairat M, Webb M, Esch MP, Lozovoy VV, Levine BG, Dantus M. Time-resolved signatures across the intramolecular response in substituted cyanine dyes. Physical Chemistry Chemical Physics : Pccp. PMID 28518192 DOI: 10.1039/C7Cp00119C  0.433
2017 Snyder JW, Fales BS, Hohenstein EG, Levine BG, Martínez TJ. A direct-compatible formulation of the coupled perturbed complete active space self-consistent field equations on graphical processing units. The Journal of Chemical Physics. 146: 174113. PMID 28477593 DOI: 10.1063/1.4979844  0.777
2016 Meek GA, Levine BG. The best of both Reps-Diabatized Gaussians on adiabatic surfaces. The Journal of Chemical Physics. 145: 184103. PMID 27846679 DOI: 10.1063/1.4966967  0.384
2016 Meek GA, Levine BG. Wave function continuity and the diagonal Born-Oppenheimer correction at conical intersections. The Journal of Chemical Physics. 144: 184109. PMID 27179473 DOI: 10.1063/1.4948786  0.33
2016 Shu Y, Levine BG. First-Principles Study of Nonradiative Recombination in Silicon Nanocrystals: The Role of Surface Silanol The Journal of Physical Chemistry C. 120: 23246-23253. DOI: 10.1021/Acs.Jpcc.6B06785  0.412
2016 Levine BG, Varganov SA. Special issue on excited states in complex systems International Journal of Quantum Chemistry. 116: 737-738. DOI: 10.1002/Qua.25130  0.337
2015 Fales BS, Levine BG. Nanoscale Multireference Quantum Chemistry: Full Configuration Interaction on Graphical Processing Units. Journal of Chemical Theory and Computation. 11: 4708-16. PMID 26574260 DOI: 10.1021/Acs.Jctc.5B00634  0.803
2015 Shu Y, Fales BS, Levine BG. Defect-Induced Conical Intersections Promote Nonradiative Recombination. Nano Letters. 15: 6247-53. PMID 26291975 DOI: 10.1021/Acs.Nanolett.5B02848  0.793
2015 Shu Y, Levine BG. Simulated evolution of fluorophores for light emitting diodes. The Journal of Chemical Physics. 142: 104104. PMID 25778905 DOI: 10.1063/1.4914294  0.389
2015 Shu Y, Hohenstein EG, Levine BG. Configuration interaction singles natural orbitals: an orbital basis for an efficient and size intensive multireference description of electronic excited states. The Journal of Chemical Physics. 142: 024102. PMID 25591333 DOI: 10.1063/1.4905124  0.497
2015 Shu Y, Levine BG. Nonradiative recombination via conical intersections arising at defects on the oxidized silicon surface Journal of Physical Chemistry C. 119: 1737-1747. DOI: 10.1021/Jp5114202  0.338
2015 Shu Y, Fales BS, Levine BG. Defect-Induced Conical Intersections Promote Nonradiative Recombination Nano Letters. 15: 6247-6253. DOI: 10.1021/acs.nanolett.5b02848  0.753
2015 Meek GA, Levine BG. Accurate and efficient evaluation of transition probabilities at unavoided crossings in ab initio multiple spawning Chemical Physics. 460: 117-124. DOI: 10.1016/J.Chemphys.2015.06.007  0.337
2014 Meek GA, Levine BG. Evaluation of the Time-Derivative Coupling for Accurate Electronic State Transition Probabilities from Numerical Simulations. The Journal of Physical Chemistry Letters. 5: 2351-6. PMID 26279558 DOI: 10.1021/Jz5009449  0.357
2014 Konar A, Shu Y, Lozovoy VV, Jackson JE, Levine BG, Dantus M. Polyatomic molecules under intense femtosecond laser irradiation. The Journal of Physical Chemistry. A. 118: 11433-50. PMID 25314590 DOI: 10.1021/Jp505498T  0.386
2014 Xiao S, Klein ML, LeBard DN, Levine BG, Liang H, MacDermaid CM, Alfonso-Prieto M. Magnesium-dependent RNA binding to the PA endonuclease domain of the avian influenza polymerase. The Journal of Physical Chemistry. B. 118: 873-89. PMID 24404971 DOI: 10.1021/Jp408383G  0.705
2014 Shu Y, Levine BG. Do excited silicon-oxygen double bonds emit light? Journal of Physical Chemistry C. 118: 7669-7677. DOI: 10.1021/Jp500013G  0.38
2014 Meek GA, Baczewski AD, Little DJ, Levine BG. Polaronic relaxation by three-electron bond formation in graphitic carbon nitrides Journal of Physical Chemistry C. 118: 4023-4032. DOI: 10.1021/Jp412305Y  0.359
2014 Virshup AM, Levine BG, Martínez TJ. Steric and electrostatic effects on photoisomerization dynamics using QM/MM ab initio multiple spawning Theoretical Chemistry Accounts. 133: 1-11. DOI: 10.1007/S00214-014-1506-5  0.82
2013 Hansen JA, Piecuch P, Levine BG. Communication: Determining the lowest-energy isomer of Au8: 2D, or not 2D. The Journal of Chemical Physics. 139: 091101. PMID 24028093 DOI: 10.1063/1.4819693  0.319
2013 Shu Y, Levine BG. Communication: Non-radiative recombination via conical intersection at a semiconductor defect. The Journal of Chemical Physics. 139: 081102. PMID 24006966 DOI: 10.1063/1.4819784  0.365
2013 Shu Y, Levine BG. Reducing the propensity for unphysical wavefunction symmetry breaking in multireference calculations of the excited states of semiconductor clusters. The Journal of Chemical Physics. 139: 074102. PMID 23968067 DOI: 10.1063/1.4817965  0.444
2013 Konar A, Shah JD, Goswami T, Shu Y, Levine B, Lozovoy VV, Dantus M. Electronic coherence mediated quantum control of chemical reactions in polyatomic molecules Optics Infobase Conference Papers. DOI: 10.1364/Fio.2013.Fw1A.3  0.349
2012 Jusufi A, LeBard DN, Levine BG, Klein ML. Surfactant concentration effects on micellar properties. The Journal of Physical Chemistry. B. 116: 987-91. PMID 22176156 DOI: 10.1021/Jp2102989  0.722
2012 Lebard DN, Levine BG, Mertmann P, Barr SA, Jusufi A, Sanders S, Klein ML, Panagiotopoulos AZ. Self-assembly of coarse-grained ionic surfactants accelerated by graphics processing units Soft Matter. 8: 2385-2397. DOI: 10.1039/C1Sm06787G  0.725
2012 Lebard DN, Levine BG, DeVane R, Shinoda W, Klein ML. Premicelles and monomer exchange in aqueous surfactant solutions above and below the critical micelle concentration Chemical Physics Letters. 522: 38-42. DOI: 10.1016/J.Cplett.2011.11.075  0.702
2011 Levine BG, LeBard DN, DeVane R, Shinoda W, Kohlmeyer A, Klein ML. Micellization Studied by GPU-Accelerated Coarse-Grained Molecular Dynamics. Journal of Chemical Theory and Computation. 7: 4135-45. PMID 26598358 DOI: 10.1021/Ct2005193  0.741
2011 Levine BG, Stone JE, Kohlmeyer A. Fast Analysis of Molecular Dynamics Trajectories with Graphics Processing Units-Radial Distribution Function Histogramming. Journal of Computational Physics. 230: 3556-3569. PMID 21547007 DOI: 10.1016/J.Jcp.2011.01.048  0.316
2011 Levine BG, Lebard DN, Devane R, Shinoda W, Kohlmeyer A, Klein ML. Micellization studied by GPU-accelerated coarse-grained molecular dynamics Journal of Chemical Theory and Computation. 7: 4135-4145. DOI: 10.1021/ct2005193  0.707
2010 Carnevale V, Fiorin G, Levine BG, Degrado WF, Klein ML. Multiple Proton Confinement in the M2 Channel from the Influenza A Virus. The Journal of Physical Chemistry. C, Nanomaterials and Interfaces. 114: 20856-20863. PMID 21359105 DOI: 10.1021/Jp107431G  0.597
2010 Acharya R, Carnevale V, Fiorin G, Levine BG, Polishchuk AL, Balannik V, Samish I, Lamb RA, Pinto LH, DeGrado WF, Klein ML. Structure and mechanism of proton transport through the transmembrane tetrameric M2 protein bundle of the influenza A virus. Proceedings of the National Academy of Sciences of the United States of America. 107: 15075-80. PMID 20689043 DOI: 10.1073/Pnas.1007071107  0.582
2010 Balannik V, Carnevale V, Fiorin G, Levine BG, Lamb RA, Klein ML, Degrado WF, Pinto LH. Functional studies and modeling of pore-lining residue mutants of the influenza a virus M2 ion channel. Biochemistry. 49: 696-708. PMID 20028125 DOI: 10.1021/Bi901799K  0.58
2009 Tao H, Levine BG, Martínez TJ. Ab initio multiple spawning dynamics using multi-state second-order perturbation theory. The Journal of Physical Chemistry. A. 113: 13656-62. PMID 19888736 DOI: 10.1021/Jp9063565  0.699
2009 Levine BG, Martínez TJ. Ab initio multiple spawning dynamics of excited butadiene: role of charge transfer. The Journal of Physical Chemistry. A. 113: 12815-24. PMID 19813720 DOI: 10.1021/Jp907111U  0.689
2008 Coe JD, Ong MT, Levine BG, Martínez TJ. On the extent and connectivity of conical intersection seams and the effects of three-state intersections. The Journal of Physical Chemistry. A. 112: 12559-67. PMID 19012385 DOI: 10.1021/Jp806072K  0.801
2008 Levine BG, Coe JD, Martínez TJ. Optimizing conical intersections without derivative coupling vectors: application to multistate multireference second-order perturbation theory (MS-CASPT2). The Journal of Physical Chemistry. B. 112: 405-13. PMID 18081339 DOI: 10.1021/Jp0761618  0.758
2008 Levine BG, Coe JD, Virshup AM, Martínez TJ. Implementation of ab initio multiple spawning in the Molpro quantum chemistry package Chemical Physics. 347: 3-16. DOI: 10.1016/J.Chemphys.2008.01.014  0.788
2007 Hudock HR, Levine BG, Thompson AL, Satzger H, Townsend D, Gador N, Ullrich S, Stolow A, Martínez TJ. Ab initio molecular dynamics and time-resolved photoelectron spectroscopy of electronically excited uracil and thymine. The Journal of Physical Chemistry. A. 111: 8500-8. PMID 17685594 DOI: 10.1021/Jp0723665  0.798
2007 Coe JD, Levine BG, Martínez TJ. Ab initio molecular dynamics of excited-state intramolecular proton transfer using multireference perturbation theory. The Journal of Physical Chemistry. A. 111: 11302-10. PMID 17602455 DOI: 10.1021/Jp072027B  0.793
2007 Levine BG, Martínez TJ. Isomerization through conical intersections. Annual Review of Physical Chemistry. 58: 613-34. PMID 17291184 DOI: 10.1146/Annurev.Physchem.57.032905.104612  0.657
2007 Hudock HR, Levine BG, Thompson AL, Martinez TJ. First principles dynamics of photoexcited DNA and RNA bases Aip Conference Proceedings. 963: 219-222. DOI: 10.1063/1.2836045  0.736
2006 Levine BG, Ko C, Quenneville J, MartÍnez TJ. Conical intersections and double excitations in time-dependent density functional theory Molecular Physics. 104: 1039-1051. DOI: 10.1080/00268970500417762  0.798
2003 Ko C, Levine B, Toniolo A, Manohar L, Olsen S, Werner HJ, Martínez TJ. Ab initio excited-state dynamics of the photoactive yellow protein chromophore. Journal of the American Chemical Society. 125: 12710-1. PMID 14558810 DOI: 10.1021/Ja0365025  0.743
2003 Schultz T, Quenneville J, Levine B, Toniolo A, Martínez TJ, Lochbrunner S, Schmitt M, Shaffer JP, Zgierski MZ, Stolow A. Mechanism and dynamics of azobenzene photoisomerization. Journal of the American Chemical Society. 125: 8098-9. PMID 12837068 DOI: 10.1021/Ja021363X  0.808
2003 Leitner DM, Levine B, Quenneville J, Martínez TJ, Wolynes PG. Quantum energy flow and trans-stilbene photoisomerization: An example of a non-RRKM reaction Journal of Physical Chemistry A. 107: 10706-10716. DOI: 10.1021/Jp0305180  0.783
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