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Submitted Abstracts

Displaying 1 - 25 of 215

Name of Presenting AuthorPresentation CategoryTitleFileApprovedApproved? (Admin-only)
Aaron FordePosterElectronic Coherence and Excited-State Dynamics of Photo-Induced Polarons in Lead Halide Perovskitesforde_abstract.pdfaaron.forde@ndsu.eduaaron.forde@ndsu.edu
Svetlana KilinaPosterInfluence of Chemical Composition on the Relaxation Rates of Charge Carriers in PbX/CdX, X = S or Se, Core/Shell Quantum Dotskilina_abstract.pdfsvetlana.kilina@ndsu.edusvetlana.kilina@ndsu.edu
Fabian FaulstichOralCost reduction of quantum simulations of chemistry by means of the Discontinuous Galerkin discretizationAbstract.pdff.m.faulstich@kjemi.uio.nof.m.faulstich@kjemi.uio.no
Benoît ChampagnePosterDYNAMICAL BEHAVIOR AND SECOND HARMONIC GENERATION RESPONSES OF MOLECULAR SWITCHESSanibel_abstract_Champagne.pdfbenoit.champagne@unamur.bebenoit.champagne@unamur.be
Andre LaestadiusOralGuaranteed convergence of a regularized Kohn-Sham iteration in finite dimensionsOral-presentation-abstract-Laestadius.pdfandre.laestadius@kjemi.uio.noandre.laestadius@kjemi.uio.no
Peter LanghoffOralOn the Birth and Attributes of Quantum Computinglanghoff_abstract.pdfplangho1@san.rr.complangho1@san.rr.com
Gilberto Alexander Zapata RomeroPosterLipase-catalyzed acylation of (R,S)-propranolol: effect of the acyl group on the chemoselectivityzapataromero_abstract.pdfgilbertoazr@gmail.comgilbertoazr@gmail.com
Peter KnowlesInvitedCoupled Cluster Theory and Full Configuration Interaction for electrons, photons and vibrationsknowles_abstract.pdfKnowlesPJ@Cardiff.ac.ukKnowlesPJ@Cardiff.ac.uk
Paul BrackenPosterThermodynamics in Quantum Systemsbracken_abstract.pdfpaul.bracken@utrgv.edupaul.bracken@utrgv.edu
Svetlana KotochigovaOralQuantum chemistry with ultracold moleculesAbstract_Kotochigova.pdfskotoch@temple.eduskotoch@temple.edu
Akbar SalamPlenaryRET in a Medium: Pair and Many-Body QED Theorysalam_abstract.pdfsalama@wfu.edusalama@wfu.edu
Eite TiesingaPosterA pressure standard for Ultra-High-Vacuum based on laser-cooled atomstiesinga_abstract.pdfeite.tiesinga@nist.goveite.tiesinga@nist.gov
Thanh Lam NguyenOralRemoval of Laughing Gas N2O by Singlet CH2: A Theoretical StudyAbstract_Sanibel-2020-Nguyen-Ravi-Stanton.pdftlam.nguyen@chem.ufl.edutlam.nguyen@chem.ufl.edu
Oleg PrezhdoInvitedExcited State Dynamics in Hybrid Nanoscale Materials: Time-Domain Ab Initio StudiesAbstact_Prezhdo.pdfprezhdo@usc.eduprezhdo@usc.edu
Ari ChakrabortyPosterMachine Learning of Quantum Mechanical Operators using Deep Neural Networks: Achieving linear-scaling calculation of electron ionization by learning from low-dimensional tensorschakraborty_ari_abstract.pdfarchakra@syr.eduarchakra@syr.edu
Robert MoltOralCorrelation, Anharmonic Treatments, and Basis Effects in comparing Computational IR Spectroscopy to Experimental Databasesmolt_abstract.pdfr.molt.chemical.physics@gmail.comr.molt.chemical.physics@gmail.com
Piotr RozyczkoOralImpact sensitivity of energetic materials - theory and experimentrozyczko_abstract.pdfpiotr.rozyczko@esss.sepiotr.rozyczko@esss.se
Remy LalissePosterpH-Controlled Chiral Packing and Self-Assembly of a Coumarin Tetrapeptidelalisse_abstract.pdflalisse.1@osu.edulalisse.1@osu.edu
Biswas RijalPosterFIRST PRINCIPLE STUDIES OF CHARGED POINT DEFECTS IN 2D MATERIALSBiswas_abstract.pdfbiswas.rijal@ufl.edubiswas.rijal@ufl.edu
Luis RincónPosterSemi-local deep-learning kinetic energy density functional based on fourth order gradient expansionrincon_abstract.pdflrincon@usfq.edu.eclrincon@usfq.edu.ec
Marc de WergifossePosterElectronic Excitation Spectra of Very Large Diradicals: A Simplified Spin-Flip Time-Dependent Density Functional Theory ApproachSanibel_2020_Abstract1.pdfmdewergifosse@thch.uni-bonn.demdewergifosse@thch.uni-bonn.de
Bidhan SahaOralRelativistic study on electron and positron scattering by neutral Fe atom at E=1-106 eV*)saha_abstract.pdfbidhan.saha@famu.edubidhan.saha@famu.edu
John MintmirePosterFirst-principles structural studies of polythiophene isomersmintmire_abstract.pdfjohn.mintmire@okstate.edujohn.mintmire@okstate.edu
David MichaPosterTime-propagation of the reduced density matrix for fast and transient phenomenamicha_abstract.pdfmicha@qtp.ufl.edumicha@qtp.ufl.edu
Notker RoeschInvitedCatalysis in Silico - Where are We? Modeling Reactions at Transition Metal ComplexesRoesch_abstract.pdfroesch@mytum.deroesch@mytum.de
Name of Presenting AuthorPresentation CategoryTitleFileApprovedApproved? (Admin-only)