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Submitted Abstracts

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Name of Presenting AuthorPresentation CategoryTitleFileApprovedApproved? (Admin-only)
Dominika ZgidPlenaryCreation of sparse Hamiltonians optimal for quantum computing using classical-quantum hybrid schemesZgid_abstract.pdfdominika.zgid@gmail.comdominika.zgid@gmail.com
Ya-Wen HsiaoInvitedQuantum refinement: Working closely with experimenthsiao_abstract.pdfya-Wen.Hsiao@stfc.ac.ukya-Wen.Hsiao@stfc.ac.uk
Nathan WiebePlenaryAdvances in quantum chemistry simulation algorithmswiebe_abstract.pdfnwiebe@uw.edunwiebe@uw.edu
Garnet ChanPlenaryTowards condensed matter chemical physicschan_abstract.pdfgkc1000@gmail.comgkc1000@gmail.com
Martin Head-GordonPlenaryA many-body method without strong correlation?headgordon_abstract.pdfmhg@cchem.berkeley.edumhg@cchem.berkeley.edu
Daniel CrawfordPlenaryMachine learning meets response propertiescrawford_abstract.pdfcrawdad@vt.educrawdad@vt.edu
Talat RahmanPlenarySingle-Molecule Magnets on Two Dimensional Materials: insights from ab initio calculationsrahman_abstract.pdftalat@ucf.edutalat@ucf.edu
Louis NoodlemanOralDFT Calculations of a Catalytic Reaction Cycle linking Proton Transfer with Proton Pumping in a Bacterial Cytochrome c Oxidasenoodleman_abstract.pdflou@scripps.edulou@scripps.edu
Andreas, GrüneisPlenaryCoupled cluster theory for solids and surfacessanibel_2020_grueneis.pdfandreas.grueneis@tuwien.ac.atandreas.grueneis@tuwien.ac.at
Stephen XiePosterAccelerating the Genetic Algorithm for Structure Prediction (GASP) using Machine Learningxie_sanibel.pdfsxiexie@ufl.edusxiexie@ufl.edu
Svetlana A. MalinovskayaPosterChirped pulse entanglement of Rydberg atomsAbstract_Malinovskaya_Sanibel2020.pdfsmalinov@stevens.edusmalinov@stevens.edu
Valentin V. KarasievPosterCharacterization of the liquid–liquid phase transition in dense hydrogen: The role of accurate exchange-correlation and nuclear quantum effectsCharacterization_WP-2.pdfvkarasev@lle.rochester.eduvkarasev@lle.rochester.edu
Young Choon ParkPosterEquation of motion coupled-cluster for core excitation spectra: Two complementary approachesSanibel-2020-YCP.pdfy.park@ufl.eduy.park@ufl.edu
Eric FonsecaPosterMethodological DFT Study of Spin-Crossover Mn(taa)fonseca.pdfericfonseca@ufl.eduericfonseca@ufl.edu
Robert, MoltOralAccuracy of VPT2/CCSD(T) IR Spectral Estimation for Broadened Signals at STP ConditionsMolt_Sanibel_Abstract.pdfr.molt.chemical.physics@gmail.comr.molt.chemical.physics@gmail.com
Timo ThonhauserOralReduced-Gradient Analysis of van der Waals ComplexesThonhauser-Sanibel-2022.pdfthonhauser@wfu.eduthonhauser@wfu.edu
Alberto PerezPosterImportance of Anion−π Interactions in RNA GAAA and GGAG Tetraloops: A Combined MD and QM StudyabstractPerez.pdfperez@chem.ufl.eduperez@chem.ufl.edu
Ilya G. KaplanInvitedModern state of the conventional DFT method studies following from the quantum state of the system and its total spin.KaplanAbstract61thSanibelOctober2021.pdfkaplan@unam.mxkaplan@unam.mx
Chenghao ZhangOralQuantum Scrambling in MoleculesAbstract-Quantum-Scrambling-in-Molecules-Chenghao-Zhang.pdfcz38@illinois.educz38@illinois.edu
Xin XingOralStaggered mesh method for correlation energy calculations of solids: second order Møller-Plesset perturbation theory and random phase approximationabstract.pdfxxing@berkeley.eduxxing@berkeley.edu
xiuyi qinPosterAnharmonic phonon dispersion in polyethyleneAnharmonic-Phonon-Dispersion-in-Polyethylene.pdfterryqqy@gmail.comterryqqy@gmail.com
Daniel TaborOralData-Driven Methods for Accelerating Vibrational Spectroscopy Modeling at the Medium to Large Scale2021_10_26_tabor_sanibel_symposium_abstract.pdfdaniel_tabor@tamu.edudaniel_tabor@tamu.edu
Bryan GoldsmithPlenaryInterpretable machine learning to understand and predict catalysts and materialsAbstract-Interpreting-ML-models.pdfbgoldsm@umich.edubgoldsm@umich.edu
Fabian, FaulstichOralOn the pure state $v$-representability of density matrix embedding theory---An augmented Lagrangian approachSanibel_absract_2022.pdff.m.faulstich@berkeley.eduf.m.faulstich@berkeley.edu
Raehyun KimOralOn the pure state v-representability of density matrix embedding theory-Practical simulationsSanibel_absract_20221.pdfrhkim79@berkeley.edurhkim79@berkeley.edu
Name of Presenting AuthorPresentation CategoryTitleFileApprovedApproved? (Admin-only)