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Submitted Abstracts

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Name of Presenting AuthorPresentation CategoryTitleFileApprovedApproved? (Admin-only)
Ron ShepardPosterAn Arc Density Maximum Flow AlgorithmArcDensitySanibelAbstract.pdfshepard@tcg.anl.govshepard@tcg.anl.gov
Xavier AndradePosterDeveloping the next generation time-dependent density functional theory codeAbstract-Sanibel.pdfxavier@llnl.govxavier@llnl.gov
Lan ChengOralTowards accurate calculations of core-level spectroscopy using relativistic coupled-cluster techniquesSanibel-2020.pdflcheng24@jhu.edulcheng24@jhu.edu
Filipp FurcheInvitedPervasive Divergence of Many-Body Perturbation Theory for Dispersion Interactionsabstract.pdffilipp.furche@uci.edufilipp.furche@uci.edu
Toomas TammInvitedFormation and Binding Properties of CyclohexanohemicucurbiturilsSanibel2020-abstract-Tamm-V3.pdftoomas.tamm@taltech.eetoomas.tamm@taltech.ee
Alexander KemperPlenaryPhysics of Spin Systems using Quantum Computingkemper_abstract.pdfakemper@ncsu.eduakemper@ncsu.edu
Ireneusz GrabowskiPlenaryOrbital-Dependent Functionals in Kohn-Sham DFT - Practical Realization of ab initio KS-DFTgrabowski_ireneusz_Sanibel2020.pdfig@fizyka.umk.plig@fizyka.umk.pl
Fabijan PavosevicOralMulticomponent coupled cluster methods for combining electronic and nuclear quantum effectsPavosevic_Fabijan_Abstract.pdffabijan.pavosevic@yale.edufabijan.pavosevic@yale.edu
Stefan VuckovicOralA fully nonlocal DFT framework for the construction of novel approximationsvuckovic_abstract.pdfsvuckovi@uci.edusvuckovi@uci.edu
Tore BrinckPosterAnalyzing Halogen Bonding and Hydrogen Bonding by a Point-Charge Approach: Rigorous Separation of Polarization and Charge-TransferBrinck_Abstract.pdftore@kth.setore@kth.se
Jesus ValdiviezoPosterAcetylene-bridged Organic and Organometallic Donor-Bridge-Acceptor Systems for IR-Induced Electron Transfer Modulationvaldiviezo_abstract.pdfjesus.valdiviezo@duke.edujesus.valdiviezo@duke.edu
Gerald KniziaOralMolecular intergrals from Fast Fourier Transformations (FFT) and matrix multiplications instead of recurrencesknizia_abstract.pdfknizia@psu.eduknizia@psu.edu
Satoshi YabushitaPosterRelativistic effects in the K-shell photoionization differential cross sections of heavy elements with the complex basis function methodSanibel-poster.pdfyabusita@chem.keio.ac.jpyabusita@chem.keio.ac.jp
Manh T. NguyenOralAb initio molecular dynamics simulations of molten salt systemsAbstract_MNguyen.pdfmanhthuong.nguyen@pnnl.govmanhthuong.nguyen@pnnl.gov
Libor VeisPosterMOLMPS: the massively parallel quantum chemical density matrix renormalization group programveis_abstract.pdflibor.veis@jh-inst.cas.czlibor.veis@jh-inst.cas.cz
Takashi KawakamiPosterElectronic structures of CaMn4O5 cluster in oxygen evolving complex of photosystem II. Theoretical calculations by LPNO-CC methods in the S2 state of the Kok cycleabstkawakami.pdfkawakami@chem.sci.osaka-u.ac.jpkawakami@chem.sci.osaka-u.ac.jp
Daisuke YamakiPosterAnalysis of relativistic effects by using the difference of density matrices191231b_yamaki_abstract.pdfyamaki@rist.or.jpyamaki@rist.or.jp
Jun ZhangPosterNWPEsSe: A General Algorithm for Global Optimization of Chemical StructuresZhang_Abstract.pdfjun.zhang@pnnl.govjun.zhang@pnnl.gov
Jia ChenOralDecoherence in Molecular Electron Spin Qubits: Insights from Quantum Many-Body Simulationsabstract1.pdfjiachenchem@gmail.comjiachenchem@gmail.com
Maher YazbackPosterFirst-Principles study of an S=1 quasi-1D quantum molecular magnetic materialyazback_abstract.pdfmyazback@ufl.edumyazback@ufl.edu
Jie-Xiang YuPosterJahn-Teller solid, liquid and gas in spin-crossover system Mn(taa)Xiang_Yu.pdfjiexiang.yu@ufl.edujiexiang.yu@ufl.edu
Jun JiangPosterStudy the mechanical loss of amorphous mirror coatings for gravitational wave detection by two level system modeljiang_poster.pdfjiangjun413@ufl.edujiangjun413@ufl.edu
Moneesha RaviPosterTailored Coupled Cluster method for multi-determinantal problemsravi_abstract.pdfm.ravi@ufl.edum.ravi@ufl.edu
Dmitry LiakhPosterTensor Network Theory for Direct Simulations of Fermionic Ab Initio Hamiltonians on High Performance Computing PlatformsSanibel_20201.pdfliakhdi@ornl.govliakhdi@ornl.gov
Kevin GimaPosterExcited state dynamics in 1D thermoelectric materialsgima_abstract.pdfkevingima@outlook.comkevingima@outlook.com
Name of Presenting AuthorPresentation CategoryTitleFileApprovedApproved? (Admin-only)