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Kenneth A. Lopata, Ph.D. - Publications

Affiliations: 
2010 University of California, Los Angeles, Los Angeles, CA 
Area:
Physical, Theory, Theoretical Chemistry
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46/54 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
2024 Hamer KA, Folorunso AS, Lopata K, Schafer KJ, Gaarde MB, Mauger F. Tracking Charge Migration with Frequency-Matched Strobo-Spectroscopy. The Journal of Physical Chemistry. A. PMID 38165105 DOI: 10.1021/acs.jpca.3c04234  0.339
2023 Folorunso AS, Mauger F, Hamer KA, Jayasinghe DD, Wahyutama IS, Ragains JR, Jones RR, DiMauro LF, Gaarde MB, Schafer KJ, Lopata K. Attochemistry Regulation of Charge Migration. The Journal of Physical Chemistry. A. PMID 36791088 DOI: 10.1021/acs.jpca.3c00568  0.353
2022 Yang M, Sissay A, Chen M, Lopata K. Intruder Peak-Free Transient Inner-Shell Spectra Using Real-Time Simulations. Journal of Chemical Theory and Computation. PMID 35025498 DOI: 10.1021/acs.jctc.1c00079  0.334
2021 Folorunso AS, Bruner A, Mauger F, Hamer KA, Hernandez S, Jones RR, DiMauro LF, Gaarde MB, Schafer KJ, Lopata K. Molecular Modes of Attosecond Charge Migration. Physical Review Letters. 126: 133002. PMID 33861123 DOI: 10.1103/PhysRevLett.126.133002  0.753
2021 Moreno Carrascosa A, Yang M, Yong H, Ma L, Kirrander A, Weber PM, Lopata K. Mapping static core-holes and ring-currents with X-ray scattering. Faraday Discussions. PMID 33605956 DOI: 10.1039/d0fd00124d  0.308
2020 Li X, Govind N, Isborn C, DePrince AE, Lopata K. Real-Time Time-Dependent Electronic Structure Theory. Chemical Reviews. PMID 32813506 DOI: 10.1021/Acs.Chemrev.0C00223  0.429
2020 Darapaneni P, Meyer AM, Sereda M, Bruner A, Dorman JA, Lopata K. Simulated field-modulated x-ray absorption in titania. The Journal of Chemical Physics. 153: 054110. PMID 32770877 DOI: 10.1063/5.0009677  0.769
2020 Chen M, Lopata K. First-Principles Simulations of X-ray Transient Absorption for Probing Attosecond Electron Dynamics. Journal of Chemical Theory and Computation. PMID 32470295 DOI: 10.1021/Acs.Jctc.0C00122  0.479
2020 Aprà E, Bylaska EJ, de Jong WA, Govind N, Kowalski K, Straatsma TP, Valiev M, van Dam HJJ, Alexeev Y, Anchell J, Anisimov V, Aquino FW, Atta-Fynn R, Autschbach J, Bauman NP, ... ... Lopata K, et al. NWChem: Past, present, and future. The Journal of Chemical Physics. 152: 184102. PMID 32414274 DOI: 10.1063/5.0004997  0.333
2020 Tuthill DR, Mauger F, Scarborough TD, Jones RR, Gaarde MB, Lopata K, Schafer KJ, DiMauro LF. Multidimensional molecular high-harmonic spectroscopy: A road map for charge migration studies Journal of Molecular Spectroscopy. 372: 111353. DOI: 10.1016/J.Jms.2020.111353  0.402
2019 Ranasinghe JC, Dikkumbura AS, Hamal P, Chen M, Khoury RA, Smith HT, Lopata K, Haber LH. Monitoring the growth dynamics of colloidal gold-silver core-shell nanoparticles using in situ second harmonic generation and extinction spectroscopy. The Journal of Chemical Physics. 151: 224701. PMID 31837661 DOI: 10.1063/1.5127941  0.39
2019 Sándor P, Sissay A, Mauger F, Gordon MW, Gorman TT, Scarborough TD, Gaarde MB, Lopata K, Schafer KJ, Jones RR. Angle-dependent strong-field ionization of halomethanes. The Journal of Chemical Physics. 151: 194308. PMID 31757133 DOI: 10.1063/1.5121711  0.414
2019 Mauger F, Abanador PM, Scarborough TD, Gorman TT, Agostini P, DiMauro LF, Lopata K, Schafer KJ, Gaarde MB. High-harmonic spectroscopy of transient two-center interference calculated with time-dependent density-functional theory. Structural Dynamics (Melville, N.Y.). 6: 044101. PMID 31341934 DOI: 10.1063/1.5111349  0.445
2019 Gorman TT, Scarborough TD, Abanador PM, Mauger F, Kiesewetter D, Sándor P, Khatri S, Lopata K, Schafer KJ, Agostini P, Gaarde MB, DiMauro LF. Probing the interplay between geometric and electronic-structure features via high-harmonic spectroscopy. The Journal of Chemical Physics. 150: 184308. PMID 31091918 DOI: 10.1063/1.5086036  0.427
2018 Sándor P, Sissay A, Mauger F, Abanador PM, Gorman TT, Scarborough TD, Gaarde MB, Lopata K, Schafer KJ, Jones RR. Angle dependence of strong-field single and double ionization of carbonyl sulfide Physical Review A. 98. DOI: 10.1103/Physreva.98.043425  0.32
2018 Mauger F, Abanador PM, Bruner A, Sissay A, Gaarde MB, Lopata K, Schafer KJ. Signature of charge migration in modulations of double ionization Physical Review A. 97. DOI: 10.1103/Physreva.97.043407  0.312
2017 Bruner A, Hernandez S, Mauger F, Abanador PM, LaMaster D, Gaarde MB, Schafer KJ, Lopata K. Attosecond Charge Migration with TDDFT: Accurate Dynamics from a Well-Defined Initial State. The Journal of Physical Chemistry Letters. PMID 28792225 DOI: 10.1021/Acs.Jpclett.7B01652  0.704
2017 Abanador PM, Mauger F, Lopata K, Gaarde MB, Schafer KJ. Semiclassical modeling of high-order harmonic generation driven by an elliptically polarized laser field: the role of recolliding periodic orbits Journal of Physics B: Atomic, Molecular and Optical Physics. 50: 035601. DOI: 10.1088/1361-6455/50/3/035601  0.367
2017 Smith HT, Karam TE, Haber LH, Lopata K. Capturing Plasmon–Molecule Dynamics in Dye Monolayers on Metal Nanoparticles Using Classical Electrodynamics with Quantum Embedding The Journal of Physical Chemistry C. 121: 16932-16942. DOI: 10.1021/Acs.Jpcc.7B03440  0.387
2016 Sissay A, Abanador P, Mauger F, Gaarde M, Schafer KJ, Lopata K. Angle-dependent strong-field molecular ionization rates with tuned range-separated time-dependent density functional theory. The Journal of Chemical Physics. 145: 094105. PMID 27608987 DOI: 10.1063/1.4961731  0.51
2016 Bruner A, LaMaster D, Lopata K. Accelerated Broadband Spectra Using Transition Dipole Decomposition and Padé Approximants. Journal of Chemical Theory and Computation. 12: 3741-50. PMID 27359347 DOI: 10.1021/Acs.Jctc.6B00511  0.702
2016 Mauger F, Abanador PM, Lopata K, Schafer KJ, Gaarde MB. Semiclassical-wave-function perspective on high-harmonic generation Physical Review a - Atomic, Molecular, and Optical Physics. 93. DOI: 10.1103/Physreva.93.043815  0.316
2015 Tussupbayev S, Govind N, Lopata K, Cramer CJ. Comparison of Real-Time and Linear-Response Time-Dependent Density Functional Theories for Molecular Chromophores Ranging from Sparse to High Densities of States. Journal of Chemical Theory and Computation. 11: 1102-9. PMID 26579760 DOI: 10.1021/Ct500763Y  0.473
2015 Fernando RG, Balhoff MC, Lopata K. X-ray absorption in insulators with non-Hermitian real-time time-dependent density functional theory. Journal of Chemical Theory and Computation. 11: 646-54. PMID 26579600 DOI: 10.1021/Ct500943M  0.483
2015 Tussupbayev S, Govind N, Lopata K, Cramer CJ. Comparison of real-time and linear-response time-dependent density functional theories for molecular chromophores ranging from sparse to high densities of states Journal of Chemical Theory and Computation. 11: 1102-1109. DOI: 10.1021/ct500763y  0.309
2013 Lopata K, Govind N. Near and Above Ionization Electronic Excitations with Non-Hermitian Real-Time Time-Dependent Density Functional Theory. Journal of Chemical Theory and Computation. 9: 4939-46. PMID 26583412 DOI: 10.1021/Ct400569S  0.485
2013 Chamberlin SE, Wang Y, Lopata K, Kaspar TC, Cohn AW, Gamelin DR, Govind N, Sushko PV, Chambers SA. Optical absorption and spectral photoconductivity in α-(Fe₁-xCrx)₂O₃ solid-solution thin films. Journal of Physics. Condensed Matter : An Institute of Physics Journal. 25: 392002. PMID 24002907 DOI: 10.1088/0953-8984/25/39/392002  0.321
2013 Wang Y, Lopata K, Chambers SA, Govind N, Sushko PV. Optical absorption and band gap reduction in (Fe1- XCr x)2O3 solid solutions: A first-principles study Journal of Physical Chemistry C. 117: 25504-25512. DOI: 10.1021/Jp407496W  0.301
2013 Lopata K, Govind N. Near and above ionization electronic excitations with non-hermitian real-time time-dependent density functional theory Journal of Chemical Theory and Computation. 9: 4939-4946. DOI: 10.1021/ct400569s  0.383
2012 Lopata K, Van Kuiken BE, Khalil M, Govind N. Linear-Response and Real-Time Time-Dependent Density Functional Theory Studies of Core-Level Near-Edge X-Ray Absorption. Journal of Chemical Theory and Computation. 8: 3284-3292. PMID 26605735 DOI: 10.1021/Ct3005613  0.455
2012 Reslan R, Lopata K, Arntsen C, Govind N, Neuhauser D. Electron transfer beyond the static picture: a TDDFT∕TD-ZINDO study of a pentacene dimer. The Journal of Chemical Physics. 137: 22A502. PMID 23249039 DOI: 10.1063/1.4729047  0.765
2012 Hou GL, Wen H, Lopata K, Zheng WJ, Kowalski K, Govind N, Wang XB, Xantheas SS. A combined gas-phase photoelectron spectroscopic and theoretical study of Zeise's anion and its bromine and iodine analogues. Angewandte Chemie (International Ed. in English). 51: 6356-60. PMID 22565588 DOI: 10.1002/Anie.201201959  0.321
2011 Lopata K, Govind N. Modeling Fast Electron Dynamics with Real-Time Time-Dependent Density Functional Theory: Application to Small Molecules and Chromophores. Journal of Chemical Theory and Computation. 7: 1344-55. PMID 26610129 DOI: 10.1021/Ct200137Z  0.519
2011 Lopata K, Reslan R, Kowalska M, Neuhauser D, Govind N, Kowalski K. Excited-State Studies of Polyacenes: A Comparative Picture Using EOMCCSD, CR-EOMCCSD(T), Range-Separated (LR/RT)-TDDFT, TD-PM3, and TD-ZINDO. Journal of Chemical Theory and Computation. 7: 3686-93. PMID 26598263 DOI: 10.1021/Ct2005165  0.627
2011 Coomar A, Arntsen C, Lopata KA, Pistinner S, Neuhauser D. Near-field: a finite-difference time-dependent method for simulation of electrodynamics on small scales. The Journal of Chemical Physics. 135: 084121. PMID 21895173 DOI: 10.1063/1.3626549  0.756
2011 Arntsen C, Lopata K, Wall MR, Bartell L, Neuhauser D. Modeling molecular effects on plasmon transport: silver nanoparticles with tartrazine. The Journal of Chemical Physics. 134: 084101. PMID 21361521 DOI: 10.1063/1.3541820  0.678
2011 Govind N, Lopata K, Rousseau R, Andersen A, Kowalski K. Visible light absorption of N-doped TiO2 rutile using (LR/RT)-TDDFT and active space EOMCCSD calculations Journal of Physical Chemistry Letters. 2: 2696-2701. DOI: 10.1021/Jz201118R  0.388
2011 Lopata K, Govind N. Modeling fast electron dynamics with real-time time-dependent density functional theory: Application to small molecules and chromophores Journal of Chemical Theory and Computation. 7: 1344-1355. DOI: 10.1021/ct200137z  0.426
2010 Lopata K, Thorpe R, Pistinner S, Duan X, Neuhauser D. Graphene nanomeshes: Onset of conduction band gaps Chemical Physics Letters. 498: 334-337. DOI: 10.1016/J.Cplett.2010.08.086  0.507
2009 Lopata K, Neuhauser D. Nonlinear nanopolaritonics: finite-difference time-domain Maxwell-Schrödinger simulation of molecule-assisted plasmon transfer. The Journal of Chemical Physics. 131: 014701. PMID 19586111 DOI: 10.1063/1.3167407  0.634
2009 Lopata K, Neuhauser D. Multiscale Maxwell-Schrodinger modeling: A split field finite-difference time-domain approach to molecular nanopolaritonics. The Journal of Chemical Physics. 130: 104707. PMID 19292549 DOI: 10.1063/1.3082245  0.631
2008 Neuhauser D, Lopata K. Quantum Drude friction for time-dependent density functional theory. The Journal of Chemical Physics. 129: 134106. PMID 19045077 DOI: 10.1063/1.2985650  0.601
2007 Neuhauser D, Lopata K. Molecular nanopolaritonics: cross manipulation of near-field plasmons and molecules. I. Theory and application to junction control. The Journal of Chemical Physics. 127: 154715. PMID 17949199 DOI: 10.1063/1.2790436  0.643
2007 Lopata K, Neuhauser D, Baer R. Curve crossing and negative refraction in simulations of near-field coupled metallic nanoparticle arrays. The Journal of Chemical Physics. 127: 154714. PMID 17949198 DOI: 10.1063/1.2796162  0.583
2007 Baer R, Lopata K, Neuhauser D. Properties of phase-coherent energy shuttling on the nanoscale. The Journal of Chemical Physics. 126: 014705. PMID 17212509 DOI: 10.1063/1.2390697  0.546
2005 Zabet-Khosousi A, Suganuma Y, Lopata K, Trudeau PE, Dhirani AA, Statt B. Influence of linker molecules on charge transport through self-assembled single-nanoparticle devices. Physical Review Letters. 94: 096801. PMID 15783986 DOI: 10.1103/Physrevlett.94.096801  0.351
Low-probability matches (unlikely to be authored by this person)
2018 Abanador PM, Mauger F, Lopata K, Gaarde MB, Schafer KJ. Wavelength and intensity dependence of recollision-enhanced multielectron effects in high-order harmonic generation Physical Review A. 97. DOI: 10.1103/Physreva.97.043414  0.279
2012 Hou G, Wen H, Lopata K, Zheng W, Kowalski K, Govind N, Wang X, Xantheas SS. Cover Picture: A Combined Gas-Phase Photoelectron Spectroscopic and Theoretical Study of Zeise’s Anion and Its Bromine and Iodine Analogues (Angew. Chem. Int. Ed. 26/2012) Angewandte Chemie International Edition. 51: 6281-6281. DOI: 10.1002/Anie.201203656  0.267
2021 Dikkumbura AS, Hamal P, Chen M, Babayode DA, Ranasinghe JC, Lopata K, Haber LH. Growth Dynamics of Colloidal Silver-Gold Core-Shell Nanoparticles Studied by Second Harmonic Generation and Extinction Spectroscopy. The Journal of Physical Chemistry. C, Nanomaterials and Interfaces. 125: 25615-25623. PMID 34868446 DOI: 10.1021/acs.jpcc.1c06094  0.252
2012 Hou G, Wen H, Lopata K, Zheng W, Kowalski K, Govind N, Wang X, Xantheas SS. Titelbild: A Combined Gas-Phase Photoelectron Spectroscopic and Theoretical Study of Zeise’s Anion and Its Bromine and Iodine Analogues (Angew. Chem. 26/2012) Angewandte Chemie. 124: 6385-6385. DOI: 10.1002/Ange.201203656  0.251
2021 Xiong Y, Borne K, Carrascosa AM, Saha SK, Wilkin KJ, Yang M, Bhattacharyya S, Chen K, Du W, Ma L, Marshall N, Nunes JPF, Pathak S, Phelps Z, Xu X, ... ... Lopata K, et al. Strong-field induced fragmentation and isomerization of toluene probed by ultrafast femtosecond electron diffraction and mass spectrometry. Faraday Discussions. PMID 33565561 DOI: 10.1039/d0fd00125b  0.239
2005 Zabet-Khosousi A, Suganuma Y, Lopata K, Trudeau PE, Dhirani AA, Statt B. Influence of linker molecules on charge transport through self-assembled single-nanoparticle devices Physical Review Letters. 94. DOI: 10.1103/PhysRevLett.94.096801  0.22
2022 Tuthill DR, Scarborough TD, Gorman TT, Hamer KA, Jones RR, Gaarde MB, Lopata K, Mauger F, Schafer KJ, DiMauro LF. Investigation of Interferences in Carbon Dioxide through Multidimensional Molecular-Frame High-Harmonic Spectroscopy. The Journal of Physical Chemistry. A. PMID 36356231 DOI: 10.1021/acs.jpca.2c04606  0.211
2021 Allum F, Amini K, Ashfold M, Bansal D, Berger RJF, Centurion M, Dixit G, Durham D, Fasshauer E, Figueira Nunes JP, Fischer I, Grell G, Ivanov M, Kirrander A, Kornilov O, ... ... Lopata K, et al. Time-resolved diffraction: general discussion. Faraday Discussions. PMID 33982708 DOI: 10.1039/d1fd90023d  0.204
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