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Submitted Abstracts

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Name of Presenting AuthorPresentation CategoryTitleFileApprovedApproved? (Admin-only)
Stefan GrimmePlenaryAutomated Exploration of the low-energy Chemical Space with fast Quantum Chemical Methodsgrimme_abstract.pdfgrimme@thch.uni-bonn.degrimme@thch.uni-bonn.de
Trond SauePlenaryLight-matter interaction in a relativistic perspectivesaue_Sanibel_60abs.pdftrond.saue@irsamc.ups-tlse.frtrond.saue@irsamc.ups-tlse.fr
Harper GrimsleyPosterCoupled Pair Methods as Geometric Approximations to Coupled Cluster MethodsGrimsley.pdfhrgrimsl@vt.eduhrgrimsl@vt.edu
Chun-Hung WangPosterComputational Kinetics of Reactions C2H6 ⇌ CH3 + CH3 and H + O2 ⇌ HO2 ⇌ HO + O in Supercritical CO22020-Sanibel-Symposium-Chun-Hung-Wang.pdfchun-hung.wang@ucf.educhun-hung.wang@ucf.edu
Shubin LiuPosterUnderstanding Aromaticity and Antiaromaticity with Information-Theoretic Approach in Density Functional Theoryliu_abstract.pdfshubin@email.unc.edushubin@email.unc.edu
Vibin AbrahamPosterTensor Product Selected CI for Strongly Correlated SystemsAbraham.pdfvibin1@vt.eduvibin1@vt.edu
Maitrayee GhoshPosterNanodiamond formation in hydrocarbons under extreme pressure-temperature conditions - Evidence from first principlesghosh_abstract.pdfmghosh2@ur.rochester.edumghosh2@ur.rochester.edu
Mark IronPlenaryDensity Functional Theory and Transition Metals Reactions – Part II: Open-Shell First-Row Transition Metal Complexes60th-Sanibel-conference-abstract.pdfmark.a.iron@weizmann.ac.ilmark.a.iron@weizmann.ac.il
Toshiyuki HiranoPosterStudy of interaction energy analysis of proteins by canonical Kohn-Sham molecular orbital calculationSanibelSymposiumAbstract_TH20191220v2.pdft-hirano@iis.u-tokyo.ac.jpt-hirano@iis.u-tokyo.ac.jp
Steven ValonePosterMixed Density Functional–Wave Functional Constructs: Variational Functionals with Hubbard-Uvalone_abstract.pdfsmvalone@gmail.comsmvalone@gmail.com
Gustavo ScuseriaPlenaryAGP decades later: Why revisiting this ansatz?Sanibel_Feb2020.pdfguscus@rice.eduguscus@rice.edu
Devin MatthewsOralTHC-MP3: Practical Crossover and Investigation of Amplitude Fitting Errorssanibel20201.pdfdamatthews@smu.edudamatthews@smu.edu
Ivan CernusakOralInterlocked cyclo[n]carbon ringsIC_oral_Sanibel2020_abstr.pdfcernusak1@uniba.skcernusak1@uniba.sk
Vincent OrtizOralDyson Orbitals: Fundamental Units of Electronic Structure and Chemical InterpretationOrtiz_abstract.pdfortiz@auburn.eduortiz@auburn.edu
Jerrano BowlegPosterThe Binding Modes of Diminazene Aceturate with c-MYC G-quadruplexesJerrano_Bowleg_Abstract.pdfjlb1692@msstate.edujlb1692@msstate.edu
Markus DoerrPosterEffect of the ceramide composition on the structure of a stratum corneum model system - a molecular dynamics studySanibel-Abstract_Markus_Doerr_1.pdfmhodoerr@uis.edu.comhodoerr@uis.edu.co
Markus DoerrPosterEnantioselectivity of the O-acylation of (RS)-atenolol catalyzed by Candida antarctica lipase B: effect of the length of the acyl donorSanibel-Abstract_Markus_Doerr_2.pdfmhodoerr@uis.edu.comhodoerr@uis.edu.co
Hirotaka Kitoh-NishiokaPosterExcitonic Coupling Calculations of Homodimetric Type-I Photosynthetic Reaction Center of Heliobacterium modesticaldumAbstKitoh_sanibel.pdfhkito@ccs.tsukuba.ac.jphkito@ccs.tsukuba.ac.jp
Masahiro HigashiPosterTheoretical study on excitation energy transfer in the light-harvesting complexSanibel_Abstract_Higashi.pdfhigashi@moleng.kyoto-u.ac.jphigashi@moleng.kyoto-u.ac.jp
Kohei TadaPosterEffects of interactions with surfaces on spin contamination errors and effective exchange integrals of homogeneous spin dimers, chains, and films: Model calculations of Au/MgO and Au/BaO systemsAbstract_Sanibel_60th_ktada_v2.pdfk-tada@aist.go.jpk-tada@aist.go.jp
Jorge A. MoralesInvitedELECTRON NUCLEAR DYNAMICS INVESTIGATION OF WATER RADIOLYSIS AND DNA DAMAGE IN PROTON CANCER THERAPYSanibel-Abstract-Jorge-Morales-1.pdfjorge.morales@ttu.edujorge.morales@ttu.edu
Charles PattersonOralDensity fitting approach to many-body calculations in molecules and solidsAbstract_Patterson.pdfCharles.Patterson@tcd.ieCharles.Patterson@tcd.ie
Lisa FredinPosterPredicting Plasmonic Reactions on Faceted Metal NanoparticlesLAF_abstract.pdflaf218@lehigh.edulaf218@lehigh.edu
Peter PulayInvitedSelection of active orbitals for strong electron correlationSanibel-2020-abstract-Pulay1.pdfpulay@uark.edupulay@uark.edu
Rodrigo Araujo MendesPosterAssessment of QTP density functionals on process of proton transfer and hydrogen bond formation.rodrigoaramendes@usp.brrodrigoaramendes@usp.br
Name of Presenting AuthorPresentation CategoryTitleFileApprovedApproved? (Admin-only)