Dominika Zgid | Plenary | Creation of sparse Hamiltonians optimal for quantum computing using classical-quantum hybrid schemes | Zgid_abstract.pdf | dominika.zgid@gmail.com | dominika.zgid@gmail.com |
Ya-Wen Hsiao | Invited | Quantum refinement: Working closely with experiment | hsiao_abstract.pdf | ya-Wen.Hsiao@stfc.ac.uk | ya-Wen.Hsiao@stfc.ac.uk |
Nathan Wiebe | Plenary | Advances in quantum chemistry simulation algorithms | wiebe_abstract.pdf | nwiebe@uw.edu | nwiebe@uw.edu |
Garnet Chan | Plenary | Towards condensed matter chemical physics | chan_abstract.pdf | gkc1000@gmail.com | gkc1000@gmail.com |
Martin Head-Gordon | Plenary | A many-body method without strong correlation? | headgordon_abstract.pdf | mhg@cchem.berkeley.edu | mhg@cchem.berkeley.edu |
Daniel Crawford | Plenary | Machine learning meets response properties | crawford_abstract.pdf | crawdad@vt.edu | crawdad@vt.edu |
Talat Rahman | Plenary | Single-Molecule Magnets on Two Dimensional Materials: insights from ab initio calculations | rahman_abstract.pdf | talat@ucf.edu | talat@ucf.edu |
Louis Noodleman | Oral | DFT Calculations of a Catalytic Reaction Cycle linking Proton Transfer with Proton Pumping in a Bacterial Cytochrome c Oxidase | noodleman_abstract.pdf | lou@scripps.edu | lou@scripps.edu |
Andreas, Grüneis | Plenary | Coupled cluster theory for solids and surfaces | sanibel_2020_grueneis.pdf | andreas.grueneis@tuwien.ac.at | andreas.grueneis@tuwien.ac.at |
Stephen Xie | Poster | Accelerating the Genetic Algorithm for Structure Prediction (GASP) using Machine Learning | xie_sanibel.pdf | sxiexie@ufl.edu | sxiexie@ufl.edu |
Svetlana A. Malinovskaya | Poster | Chirped pulse entanglement of Rydberg atoms | Abstract_Malinovskaya_Sanibel2020.pdf | smalinov@stevens.edu | smalinov@stevens.edu |
Valentin V. Karasiev | Poster | Characterization of the liquid–liquid phase transition in dense hydrogen: The role of accurate exchange-correlation and nuclear quantum effects | Characterization_WP-2.pdf | vkarasev@lle.rochester.edu | vkarasev@lle.rochester.edu |
Young Choon Park | Poster | Equation of motion coupled-cluster for core excitation spectra: Two complementary approaches | Sanibel-2020-YCP.pdf | y.park@ufl.edu | y.park@ufl.edu |
Eric Fonseca | Poster | Methodological DFT Study of Spin-Crossover Mn(taa) | fonseca.pdf | ericfonseca@ufl.edu | ericfonseca@ufl.edu |
Robert, Molt | Oral | Accuracy of VPT2/CCSD(T) IR Spectral Estimation for Broadened Signals at STP Conditions | Molt_Sanibel_Abstract.pdf | r.molt.chemical.physics@gmail.com | r.molt.chemical.physics@gmail.com |
Timo Thonhauser | Oral | Reduced-Gradient Analysis of van der Waals Complexes | Thonhauser-Sanibel-2022.pdf | thonhauser@wfu.edu | thonhauser@wfu.edu |
Alberto Perez | Poster | Importance of Anion−π Interactions in RNA GAAA and GGAG Tetraloops: A Combined MD and QM Study | abstractPerez.pdf | perez@chem.ufl.edu | perez@chem.ufl.edu |
Ilya G. Kaplan | Invited | Modern state of the conventional DFT method studies following from the quantum state of the system and its total spin. | KaplanAbstract61thSanibelOctober2021.pdf | kaplan@unam.mx | kaplan@unam.mx |
Chenghao Zhang | Oral | Quantum Scrambling in Molecules | Abstract-Quantum-Scrambling-in-Molecules-Chenghao-Zhang.pdf | cz38@illinois.edu | cz38@illinois.edu |
Xin Xing | Oral | Staggered mesh method for correlation energy calculations of solids: second order Møller-Plesset perturbation theory and random phase approximation | abstract.pdf | xxing@berkeley.edu | xxing@berkeley.edu |
xiuyi qin | Poster | Anharmonic phonon dispersion in polyethylene | Anharmonic-Phonon-Dispersion-in-Polyethylene.pdf | terryqqy@gmail.com | terryqqy@gmail.com |
Daniel Tabor | Oral | Data-Driven Methods for Accelerating Vibrational Spectroscopy Modeling at the Medium to Large Scale | 2021_10_26_tabor_sanibel_symposium_abstract.pdf | daniel_tabor@tamu.edu | daniel_tabor@tamu.edu |
Bryan Goldsmith | Plenary | Interpretable machine learning to understand and predict catalysts and materials | Abstract-Interpreting-ML-models.pdf | bgoldsm@umich.edu | bgoldsm@umich.edu |
Fabian, Faulstich | Oral | On the pure state $v$-representability of density matrix embedding theory---An augmented Lagrangian approach | Sanibel_absract_2022.pdf | f.m.faulstich@berkeley.edu | f.m.faulstich@berkeley.edu |
Raehyun Kim | Oral | On the pure state v-representability of density matrix embedding theory-Practical simulations | Sanibel_absract_20221.pdf | rhkim79@berkeley.edu | rhkim79@berkeley.edu |