SETCA 2019

Invited Speakers

Name

Affiliation

Title

Jefferson Bates

Appalachian State University

Asymmetric Hubbard Dimer: Exact adiabatic-connection analysis of beyond-RPA correlation

Dmytro Bykov

Oak Ridge National Laboratory

Quantum Chemistry on Supercomputers

Sophya Garashchuk

University of South Carolina

Molecular Dynamics with Nuclear Quantum Effects; the H/D substitution effect in materials

Rachel Getman

Clemson University

A Multiscale Sampling Model for Calculating Energies, Free Energies, Activation Energies, and Rate Constants of Heterogeneously Catalyzed Reactions under Liquid Phase

Samer Gozem

Georgia State University

Spectral Tuning Maps and Average Protein Configurations: Strategies to Aid in Studying Flavoproteins

Devin Matthews

Southern Methodist University

Practical Experiences with Tensor Hypercontraction

Nicholas Mayhall

Virginia Tech

Picking the right gates at the right time: an adaptive quantum algorithm for simulating molecular systems on quantum computers

Jesse McDaniel

Georgia Tech

First Principles Modeling of Electrochemical Interfaces

Konrad Patkowski

Auburn University

Precious metal standards of intermolecular interaction energy calculations

Akbar Salam

Wake Forest College

Discriminatory Effects in Resonance Energy Transfer

Lee Thompson

University of Louisville

Single reference wavefunctions as first-order approximations for efficient variational and orthogonal description of multistate reaction pathways

Weitao Yang
Banquet Speaker

Duke University

Symmetry, Degeneracy, Fractionals and Excitations

Tao Yu

Tennessee Tech

Essential Diabatic Orbital Method to Calculate Electronic Couplings and Simulate Charge Transfer in Organic Semiconducting Polymers

The flagship campus of the University of Tennessee System and partner in the Tennessee Transfer Pathway.

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