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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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22 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
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  0.8
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  0.8
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  0.8
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  0.8
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  0.8
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  0.8
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  0.8
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  0.8
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  0.8
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  0.8
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  0.8
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  0.8
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  0.8
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  0.8
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  0.8
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  0.8
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  0.8
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  0.8
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  0.8
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  0.8
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  0.8
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  0.8
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