| Luca Gerhards | Poster | Quantum Chemical Investigation of SO2 Adsorption and Electronic Structure on TiO2 Anatase-[101] and Rutile-[110] Surfaces | gerhards_abstract.pdf (opens in new tab) | Luca.gerhards@uni-oldenburg.de | Luca.gerhards@uni-oldenburg.de |
| Alexey Kolmogorov | Plenary | Development of neural network-based interatomic potentials for acceleration of structure prediction | Kolmogorov-abstract.pdf (opens in new tab) | kolmogorov@binghamton.edu | kolmogorov@binghamton.edu |
| Yue Yu | Poster | Calculation of defect capture cross section in Si and GaN with multi-phonon processes | yu_abstract.pdf (opens in new tab) | yuyue1995@ufl.edu | yuyue1995@ufl.edu |
| Tao Zeng | Plenary | Our recent studies in vibronic coupling: simulation of optoelectronic materials, derivation of Jahn-Teller formalisms, and interpretation of photoelectron spectrum | Zeng-abstract.pdf (opens in new tab) | tzeng@yorku.ca | tzeng@yorku.ca |
| Jozef Noga | Poster | On the performance of doubly occupied pairs coupled cluster doubles F12 approach. | noga_abstract.pdf (opens in new tab) | jozej.noga@uniba.sk | jozej.noga@uniba.sk |
| Daniel Lambrecht | Poster | Reduced-Scaling and Accurate Prediction of Molecular Response Properties | lambrecht_abstract.pdf (opens in new tab) | dlambrecht@fgcu.edu | dlambrecht@fgcu.edu |
| Joshua Hinz | Poster | On-the-fly machine-learned correction model: Ab initio molecular-dynamics simulations with near-Kohn–Sham accuracy at near-orbital-free cost | hinz_abstract.pdf (opens in new tab) | jhinz2@ur.rochester.edu | jhinz2@ur.rochester.edu |
| Monika Musial | Plenary | An efficient intruder-free Fock space multireference coupled cluster method in the studies of excited states | abstract_monika_musial.pdf (opens in new tab) | musial@ich.us.edu.pl | musial@ich.us.edu.pl |
| Antonio Cancio | Poster | Modeling self interaction in the spin-decomposed correlation holes of second-row atoms | cancio_abstract.pdf (opens in new tab) | accancio@bsu.edu | accancio@bsu.edu |
| Dmytro Bykov | Poster | Efficient and Cost-Effective Excitation Energy Calculations using Third-Order Cluster Perturbation Method | bykov_abstract.pdf (opens in new tab) | bykovd@ornl.gov | bykovd@ornl.gov |
| Magnus Hedström | Poster | Macroscopic characteristics of montmorillonite from its nanoscale components – Insights from molecular dynamics simulations | hedstrom_abstract.pdf (opens in new tab) | mh@claytech.se | mh@claytech.se |
| Megan Bentley | Poster | A Quantum Chemical Treatment of the Chlorine Oxides | bentley_abstract.pdf (opens in new tab) | mgbentley@ufl.edu | mgbentley@ufl.edu |
| Andrew Brooks | Poster | First-Principle Calculation of Charge Carrier Mobility using Complex Band Structure | brooks_abstract.pdf (opens in new tab) | avbrooks@ufl.edu | avbrooks@ufl.edu |
| Dmitri Kilin | Poster | Magnetic Field Driven Electron Dynamics in Graphene | Kilin_abstract.pdf (opens in new tab) | fatima.fatima@ndsu.edu | fatima.fatima@ndsu.edu |
| Krzysztof Szalewicz | Plenary | Connecting Kohn-Sham density functional theory with wave-function-based symmetry-adapted perturbation theory | Sanibel20204.pdf (opens in new tab) | szalewic@udel.edu | szalewic@udel.edu |
| Nicholas Mayhall | Invited | Tensor product states for more compact electronic state descriptions | abstract4.pdf (opens in new tab) | nmayhall@gmail.com | nmayhall@gmail.com |
| Filip Pawlowski | Oral | Cluster perturbation theory for energies and molecular properties | filip_pawlowski.pdf (opens in new tab) | filip@auburn.edu | filip@auburn.edu |
| Joshua Paul | Poster | Identification of Cleavage Planes in Fully Networked Structures | paul_abstract.pdf (opens in new tab) | Joshuapaul@ufl.edu | Joshuapaul@ufl.edu |
| Piotr Piecuch | Plenary | Approaching Exact Quantum Chemistry by Stochastic Wave Function Sampling and Deterministic Coupled-Cluster Computations | Piecuch_abstract_Sanibel_20201.pdf (opens in new tab) | piecuchg@chemistry.msu.edu | piecuchg@chemistry.msu.edu |
| Megan Simons | Poster | Transition-Potential Coupled Cluster | simons_abstract.pdf (opens in new tab) | msimons@smu.edu | msimons@smu.edu |
| Oinam Meitei | Poster | Spin-orbit matrix elements for a combined spin-flip and IP/EA approach | oinam-abstract.pdf (opens in new tab) | oimeitei@vt.edu | oimeitei@vt.edu |
| Shannon Houck | Poster | Speeding Up Spin-Flip: Tensor Contractions and Parameter Extractions | houck_sanibel_2020.pdf (opens in new tab) | shouck@vt.edu | shouck@vt.edu |
| Yulun Han | Poster | Charge Carrier Dynamics in Lead Halide Perovskite Solar Cell: Effect of External Electric Field | han_abstract.pdf (opens in new tab) | yulun.han@ndsu.edu | yulun.han@ndsu.edu |
| Brad Ganoe | Poster | Approximate Connected Moments for Use in Many-Body Calculations | ganoe_abstract.pdf (opens in new tab) | ganoe@berkeley.edu | ganoe@berkeley.edu |
| Nancy Makri | Invited | Path Integral Disentanglement and Modular Decomposition for Simulating the Quantum Dynamics of Large Systems | Sanibel-2020-abstract1.pdf (opens in new tab) | nmakri@illinois.edu | nmakri@illinois.edu |