Lightning Talks
Electronic Structure Theory:
Christoph Bannwarth: Hole-Hole Tamm-Dancoff-Approximated Density Functional Theory
Edward Hohenstein: Unified Low-Rank Formulation of Coupled-Cluster Theory
GPU Programming:
Grace Johnson: Efficient Two-Electron Integral Code Generation for Multi-Node Multi-GPU...
Michael Miller: Platform Independence in GPU Accelerated Electronic Structure Calculations
B. Scott Fales: Advances in Large-Scale GPU Accelerated Direct Configuration Interaction
Photoactive Proteins:
Ruibin Liang: Light Activation Mechanism of Channelrhodopsin2
Alice Walker: Effect of Crystal State Packing on Green Fluorescent Protein Isomerization Mechanism
Chey Jones: Nonadiabatic dynamics of the anionic green fluorescent protein chromophore in water
Nanoreactor:
Elisa Pieri: Nonadiabatic Nanoreactor: Towards the Automated Exploration of Photochemistry
Rui Xu: Computational Reaction Discovery in the Ab Initio Nanoreactor: A Case Study of Methane Pyrolysis
Alexander Chang: The phenyl radical oxidation reaction network explored using the ab initio...
Jan Meisner: Ab Initio Nanoreactors Reveal Reaction Mechanisms of Diarylamine Radical-Trapping...
Photochemistry:
Jimmy Yu: Resolving the Kasha’s Rule Violation in the trans to cis Photoisomerization of Azobenzene
David Sanchez: Putting Photomechanical Switches to Work: An Ab Initio Multiple Spawning Study of...
Chutintorn Punwong: An ab initio multiple spawning study of the photodynamical reaction of...
Umberto Raucci: Photoinduced Chirality with Circularly Polarized Light
Dean Lahana: Advances in Conical Intersection Optimization Methodologies
Lihong Liu: The nitrogen out-of-plane (NOOP) mechanism of imine-based unidirectional light-driven...
Hayley Weir: Nonadiabatic Dynamics of Photoexcited cis-Stilbene using Ab Initio Multiple Spawning
Deniz Tuna: Nonadiabatic Dynamics Simulations of the Dark-State/Bright-State Internal Conversion...
Quantum Computing:
Roman Ellerbrock: Simulating large-scale circuit-based Quantum Computers
Simulating Ultrafast Spectroscopy:
Monika Williams: Time Resolved Photo-electron Spectra of cis-Stilbene
Nanna List: Probing Competing Decay Pathways in Malonaldehyde with Transient X-Ray Absorption
Exciton Models:
Ethan Curtis: Examining the Excited State Dynamics of DASA Aggregates
Elliot Taffet: Exciton-Fission in Biological Light-Harvesting: The Consequence of Correlated...
Interactive Molecular Dynamics:
Henry Wang: Ab Initio Interactive Molecular Dynamics: A Hands-On Experience with Quantum Chemistry
Machine Learning:
Jason Ford: Further Generalization of the Generalized Wolfsberg-Helmholz Hamiltonian using...
Alessio Valentini: Learning Retrosynthesis Planning from ab initio data
Soren Holm: Data-driven basis set extrapolation to the Hartree-Fock complete basis set limit...