Ron Shepard | Poster | An Arc Density Maximum Flow Algorithm | ArcDensitySanibelAbstract.pdf | shepard@tcg.anl.gov | shepard@tcg.anl.gov |
Xavier Andrade | Poster | Developing the next generation time-dependent density functional theory code | Abstract-Sanibel.pdf | xavier@llnl.gov | xavier@llnl.gov |
Lan Cheng | Oral | Towards accurate calculations of core-level spectroscopy using relativistic coupled-cluster techniques | Sanibel-2020.pdf | lcheng24@jhu.edu | lcheng24@jhu.edu |
Filipp Furche | Invited | Pervasive Divergence of Many-Body Perturbation Theory for Dispersion Interactions | abstract.pdf | filipp.furche@uci.edu | filipp.furche@uci.edu |
Toomas Tamm | Invited | Formation and Binding Properties of Cyclohexanohemicucurbiturils | Sanibel2020-abstract-Tamm-V3.pdf | toomas.tamm@taltech.ee | toomas.tamm@taltech.ee |
Alexander Kemper | Plenary | Physics of Spin Systems using Quantum Computing | kemper_abstract.pdf | akemper@ncsu.edu | akemper@ncsu.edu |
Ireneusz Grabowski | Plenary | Orbital-Dependent Functionals in Kohn-Sham DFT - Practical Realization of ab initio KS-DFT | grabowski_ireneusz_Sanibel2020.pdf | ig@fizyka.umk.pl | ig@fizyka.umk.pl |
Fabijan Pavosevic | Oral | Multicomponent coupled cluster methods for combining electronic and nuclear quantum effects | Pavosevic_Fabijan_Abstract.pdf | fabijan.pavosevic@yale.edu | fabijan.pavosevic@yale.edu |
Stefan Vuckovic | Oral | A fully nonlocal DFT framework for the construction of novel approximations | vuckovic_abstract.pdf | svuckovi@uci.edu | svuckovi@uci.edu |
Tore Brinck | Poster | Analyzing Halogen Bonding and Hydrogen Bonding by a Point-Charge Approach: Rigorous Separation of Polarization and Charge-Transfer | Brinck_Abstract.pdf | tore@kth.se | tore@kth.se |
Jesus Valdiviezo | Poster | Acetylene-bridged Organic and Organometallic Donor-Bridge-Acceptor Systems for IR-Induced Electron Transfer Modulation | valdiviezo_abstract.pdf | jesus.valdiviezo@duke.edu | jesus.valdiviezo@duke.edu |
Gerald Knizia | Oral | Molecular intergrals from Fast Fourier Transformations (FFT) and matrix multiplications instead of recurrences | knizia_abstract.pdf | knizia@psu.edu | knizia@psu.edu |
Satoshi Yabushita | Poster | Relativistic effects in the K-shell photoionization differential cross sections of heavy elements with the complex basis function method | Sanibel-poster.pdf | yabusita@chem.keio.ac.jp | yabusita@chem.keio.ac.jp |
Manh T. Nguyen | Oral | Ab initio molecular dynamics simulations of molten salt systems | Abstract_MNguyen.pdf | manhthuong.nguyen@pnnl.gov | manhthuong.nguyen@pnnl.gov |
Libor Veis | Poster | MOLMPS: the massively parallel quantum chemical density matrix renormalization group program | veis_abstract.pdf | libor.veis@jh-inst.cas.cz | libor.veis@jh-inst.cas.cz |
Takashi Kawakami | Poster | Electronic structures of CaMn4O5 cluster in oxygen evolving complex of photosystem II. Theoretical calculations by LPNO-CC methods in the S2 state of the Kok cycle | abstkawakami.pdf | kawakami@chem.sci.osaka-u.ac.jp | kawakami@chem.sci.osaka-u.ac.jp |
Daisuke Yamaki | Poster | Analysis of relativistic effects by using the difference of density matrices | 191231b_yamaki_abstract.pdf | yamaki@rist.or.jp | yamaki@rist.or.jp |
Jun Zhang | Poster | NWPEsSe: A General Algorithm for Global Optimization of Chemical Structures | Zhang_Abstract.pdf | jun.zhang@pnnl.gov | jun.zhang@pnnl.gov |
Jia Chen | Oral | Decoherence in Molecular Electron Spin Qubits: Insights from Quantum Many-Body Simulations | abstract1.pdf | jiachenchem@gmail.com | jiachenchem@gmail.com |
Maher Yazback | Poster | First-Principles study of an S=1 quasi-1D quantum molecular magnetic material | yazback_abstract.pdf | myazback@ufl.edu | myazback@ufl.edu |
Jie-Xiang Yu | Poster | Jahn-Teller solid, liquid and gas in spin-crossover system Mn(taa) | Xiang_Yu.pdf | jiexiang.yu@ufl.edu | jiexiang.yu@ufl.edu |
Jun Jiang | Poster | Study the mechanical loss of amorphous mirror coatings for gravitational wave detection by two level system model | jiang_poster.pdf | jiangjun413@ufl.edu | jiangjun413@ufl.edu |
Moneesha Ravi | Poster | Tailored Coupled Cluster method for multi-determinantal problems | ravi_abstract.pdf | m.ravi@ufl.edu | m.ravi@ufl.edu |
Dmitry Liakh | Poster | Tensor Network Theory for Direct Simulations of Fermionic Ab Initio Hamiltonians on High Performance Computing Platforms | Sanibel_20201.pdf | liakhdi@ornl.gov | liakhdi@ornl.gov |
Kevin Gima | Poster | Excited state dynamics in 1D thermoelectric materials | gima_abstract.pdf | kevingima@outlook.com | kevingima@outlook.com |