Schedule

12:30–1:00 pm	Workshop Check-in
1:00–5:00 pm	MolSSI Workshop "Best Practices in Software Development"
5:00–6:00 pm	Check-in
6:00–8:00 pm	Poster Session I & Hors d’oeuvres

8:30–9:00 am	Check-in
9:00–9:15 am	Opening remarks

9:15–9:40 am	Daniel Crawford Virginia Tech	Advanced Quantum Chemical Methods for Chiroptical Spectroscopy
9:40–10:05 am	Devin Matthews Southern Methodist University	Tensor Factorization Techniques for Coupled Cluster Methods
10:05–10:30 am	Eugene DePrince Florida State University	Lower Bounds in Quantum Chemistry

10:30–10:50 am

Coffee Break

10:50–11:15 am	Francesco Evangelista Emory University	Mutual Correlation
11:15–11:40 am	Jay Foley University of North Carolina at Charlotte	Ab initio Cavity Quantum Electrodynamics
11:40–12:00 pm	Shengli Zou University of Central Florida	Revealing the Collapse Mechanism of Photons via a Nanoparticle Dimer or Multiple Emitters Near a Metallic Nanoparticle

12:00–2:00 pm

Poster Session II & Lunch

2:00–2:25 pm	Joshua Kretchmer Georgia Tech	Real-time simulations of ultrafast electron relaxation dynamics
2:25–2:50 pm	Sophya Garashchuk University of South Carolina	Quantum Dynamics with Gaussian Bases: Theme and Variations
2:50–3:15 pm	Nicholas Mayhall Virginia Tech	Computing exchange coupling constants in organometallic complexes with Tensor Product Selected CI

3:15–3:35 pm

Coffee Break

3:35–4:00 pm	Edward Valeev Virginia Tech	Beyond atomic orbitals and plane waves: multiwavelet representations for converged correlated all-electron simulation of molecules and solids
4:00–4:25 pm	Małgorzata Makoś The University of Alabama	Adaptive-Learning Reaction Pathways Search
4:25–4:50 pm	Konrad Patkowski Auburn University	Symmetry-adapted perturbation theory, but not for two molecules
4:50–5:10 pm	James Baird University of Alabama in Huntsville	Electrostatic Energy of a Dipolar Ion in an Electrolyte Solution

6:00–8:00 pm

Dinner Reception

9:00–9:25 am	Elisa Pieri University of North Carolina at Chapel Hill	Modeling the titration of biological chromophores in complex environments
9:25–9:45 am	Greg Tschumper Missouri University of Science and Technology	Concerted Proton Transfer in Small Cyclic Hydrogen Bonded Clusters
9:45–10:05 am	Ilias Magoulas Emory University	Clifford Transformations for Fermionic Quantum Systems: From Paulis to Majoranas to Fermions
10:05–10:25 am	Ryan Fortenberry University of Mississippi	PAHsing to Compute IR Spectra

10:25–10:45 am

Coffee Break

10:45–11:10 am	Lee Thompson University of Louisville	Beyond Orthogonality: Nonadiabatic Chemistry through a Nonorthogonal Lens
11:10–11:35 am	Justin Talbot Clemson University	Bridging the gaps in quantum chemistry: Integrating electronic structure and molecular dynamics
11:35–12:00 pm	Samer Gozem Georgia State University	Revisiting Oscillator Strength Calculations for Solvated Molecules

12:00–12:30 pm

Concluding remarks and business meeting

For book of abstracts, click here!