Schedule
The conference will run from Monday, July 25, through Thursday, July 28. Attendees should plan to arrive and register on Sunday evening and leave on Thursday evening or Friday. Plenary sessions will begin on Monday at 9:00 a.m. in the Events Center and end Thursday at 3:00 p.m. A complete schedule can be found below.
ACTC will provide attendees with a continental breakfast on each day of the conference as well as lunch on M, T, and Th. Breakfast will be served on the deck adjoining the Events Center, and lunch will be served on the KT Deck shown in red on this property map. On Wednesday, attendees will have the entire afternoon free to explore the beautiful surroundings.
On Tuesday evening after the poster session, enjoy the blues at a free outdoor concert. On Wednesday afternoon before the banquet, participate in a free yoga class on the plaza. And on Thursday evening, it's the Auld Dubliner restaurant's turn to host a family-friendly free bingo night.
SUNDAY, JULY 24
TIME
5:00-7:00 pm REGISTRATION (near the front desk of the Palisades)
MONDAY, JULY 25
TIME SPEAKER
8:00-9:00 am Breakfast and late registration
8:50-9:00am Welcome: Todd Martinez
Morning Session Chair: Tom Markland, Stanford University
9:00-9:35am Sharon Hammes-Schiffer, Yale University
Photoinduced Proton-Coupled Electron and Energy Transfer
9:35-10:10am David Beratan, Duke
How does biology biufurcate electrons with high efficiency?
10:10-10:40am Rising Talent: Lisa Fredin, Lehigh University
Predicting Effects of Dynamic Disorder in Molecular Semiconductors
10:40-11:00am BREAK
11:00-11:35am Neepa Maitra, Rutgers University at Newark
Recent developments in the exact factorization approach to coupled dynamics
11:35-12:10pm Katherine Hunt, Michigan State University
Nonadiabatic transition probabilities in transient electric fields
12:10-1:30pm LUNCH
Afternoon Session Chair: Ben Levine, Stony Brook University
1:30-2:05pm Artur Izmaylov, University of Toronto
Algebraic techniques for quantum chemistry on a quantum computer
2:05-2:25pm Promoted Lightning Talk – Maristella Alessio, USC
Equation-of-Motion Coupled-Cluster Protocol for Computing Molecular Magnetic Properties
2:25-2:45pm Promoted Lightning Talk – Mariya Romanova, UC Santa Barbara
Stochastic cRPA calculations of screened interactions in graphene Moire states at high pressures
2:45-3:05pm BREAK
3:05-3:40pm Rick Heller, Harvard University
The momentum of models: Keys to the high-Tc superconductors
3:40-4:15pm Dominika Zgid, University of Michigan
Green's function embedding methods for solids
4:30-6:30pm Poster Session (Posters #1-78)
TUESDAY, JULY 26
TIME SPEAKER
8:00-9:00 Breakfast
Morning Session Chair: Joseph Subotnik, Penn
9:00-9:35am David Masiello, U of Washington
Probing Infrared- to Optical-Frequency Responses in Plasmonic and Photonic Nanostructures with Fast Electron Spectroscopy
9:35-10:10am Eran Rabani, UC Berkeley
Modeling the dynamics of excitons and multiexcitons in semiconductor nanostructures
10:10-10:40am Rising Talent: Yuan Ping, UC Santa Cruz
Ab-initio Spin Dynamics in Solids
10:40-11:00am BREAK
11:00-11:35 pm Christine Aikens, Kansas State University
Photoluminescence: Applications and Development
11:35-12:10pm Baron Peters, UIUC
Modeling the kinetics of antifreeze protein adsorption: Buffon’s needle at the nanoscale
12:10-1:30 LUNCH
Afternoon Session Chair: Christoph Bannwarth, RWTH Aachen
1:30-2:05pm Martin Head-Gordon, UC Berkeley
Density functional theory for simulating core spectroscopy: Problems, solutions and applications.
2:05-2:25pm Promoted Lightning Talk – Alex Mironenko, UIUC
Non-empirical Tight Binding Theory
2:25-2:45pm Promoted Lightning Talk – Jacqueline Shea, Stanford
Active Space Control in State Averaged CASSCF Methods
2:45-3:05pm BREAK
3:05-3:40pm Annabella Selloni, Princeton University
Water-Titania Interfaces from Ab Initio Deep Neural Network Simulations
3:40-4:15pm Piotr Piecuch, Michigan State University
Approaching Exact Quantum Chemistry by Semi-Stochastic and Selected-CI-Driven Coupled-Cluster Computations
4:30-6:30pm Poster Session (Posters #79-156)
WEDNESDAY, JULY 27
TIME SPEAKER
8:00-9:00am Breakfast
Morning Session Chair: David Limmer, UC Berkeley
9:00-9:35am Mark Tuckerman, New York University
Topology, Molecular Simulation, and Machine Learning as tools to explore Structure and Phase Behavior in Molecular and Atomic Crystals
9:35-10:10am Marivi Fernandez-Serra, Stony Brook University
Machine learning approaches to improve the exchange and correlation functional in DFT
10:10-10:40am Rising Talent: Pratyush Tiwary, University of Maryland
From atoms to mechanisms: AI augmented chemistry for molecular simulations and beyond
10:40-11:00am BREAK
11:00-11:35am Olga Dudko, UC San Diego
Universality vs. Specificity in Synaptic Transmission
11:35-12:10pm Suri Vaikuntanathan, University of Chicago
Enhanced associative memory, classification and learning with active dynamics
12:10-6:00pm LUNCH ON YOUR OWN + Free Time
5:30-9:00pm Aerial Tram to High Camp
6:00-9:00pm Conference Banquet in the Terrace Room. Tickets required.
6:00-7:00pm Happy Hour with music
7:00-9:00pm Dinner
THURSDAY, JULY 28
TIME SPEAKER
8:00 – 9:00am Breakfast
Morning Session Chair: Alice Walker, Wayne State University
9:00-9:35am Valeria Molinero, University of Utah
Modeling anion exchange membranes for fuel cells
9:35-10:10am Rigoberto Hernandez, Johns Hopkins University
Spiral feedback between computation and experiment at the nano-bio interface
10:10-10:40am David Mobley, UC Irvine
An update on the Open Force Field Initiative: Progress, Plans and Opportunities
10:40-11:00am BREAK
11:00-11:30am Rising Talent: Matthias Heyden, Arizona State University
Anharmonic Vibrational Dynamics in Complex Molecular Systems
11:30-11:50am Promoted Lightning Talk – Yang Yang, UW Madison
Incorporating Nuclear Quantum Effects in ab initio Molecular Dynamics
11:50-12:10pm Promoted Lightning Talk – Tim Zuehlsdorff, Oregon State University
Beyond the Condon approximation: Modeling linear optical spectra using molecular dynamics simulations
12:10-1:30pm LUNCH
Afternoon Session Chair: Fang Liu, Emory University
1:30-2:05pm Sergey Varganov, University of Nevada at Reno
Spin Relaxation in Lanthanide-Based Single-Ion Magnets
2:05-2:40pm Tom Markland, Stanford
Imaging and elucidating molecular orientational structure and dynamics in solution with optically induced anisotropy in time-resolved scattering
2:40 END
3:30 Optional Hike - Shirley Canyon
Confirmed Speakers:
Christine Aikens, Kansas State University
David Beratan, Duke University
Olga Dudko, University of California, San Diego
Marivi Fernandez-Serra, State University of New York, Stony Brook
Sharon Hammes-Schiffer, Yale University
Martin Head-Gordon, University of California, Berkeley
Eric Heller, Harvard University
Rigoberto Hernandez, Johns Hopkins University
Katharine Hunt, Michigan State University
Artur Izmaylov, University of Toronto
Neepa Maitra, Hunter College
Tom Markland, Stanford University
David Masiello, University of Washington
David Mobley, University of California, Irvine
Valeria Molinero, University of Utah
Baron Peters, University of Illinois, Urbana-Champaign
Piotr Piecuch, Michigan State University
Eran Rabani, University of California, Berkeley
Annabella Selloni, Princeton University
Mark Tuckerman, New York University
Suri Vaikuntanathan, University of Chicago
Sergey Varganov, University of Nevada, Reno
Dominika Zgid, University of Michigan
Rising Talent Speakers:
Lisa Fredin, Lehigh University
Matthias Heyden, Arizona State University
Pratyush Tiwary, University of Maryland
Yuan Ping, University of California, Santa Cruz