Workshop IV: Monte Carlo and Machine Learning Approaches in Quantum Mechanics - IPAM

Workshop IV: Monte Carlo and Machine Learning Approaches in Quantum Mechanics

Part of the Long Program Advancing Quantum Mechanics with Mathematics and Statistics
May 23 - 27, 2022

Schedule

All times in this Schedule are Pacific Time (PT)

Monday, May 23, 2022

Morning Session

08:00-08:55
Check-In/Light Breakfast (Hosted by IPAM)
08:55-09:00
Welcome & Opening Remarks: Dean Miguel García-Garibay (Dean of Physical Sciences, UCLA) and Dima Shlyakhtenko (Director, IPAM)
SESSION CHAIR: David Ceperley
09:00-09:50
Brenda Rubenstein (Brown University)
Extending the Reach of Quantum Monte Carlo Methods via Machine Learning
10:00-10:15
Break
10:15-10:55
Jonathan Weare (New York University)
A fast Jacobi iteration with repeated random sparsification
11:05-11:30
Break
11:30-12:20
Bryan Clark (University of Illinois at Urbana-Champaign)
Virtual Talk: Variational Wavefunctions using Machine Learning Architectures for Fermions and Gauge Theories.

Afternoon Session

12:30-14:30
Lunch (on your own)
SESSION CHAIR: Kieron Burke
14:30-15:20
Eran Rabani (University of California, Berkeley (UC Berkeley))
Stochastic Density Functional Theory
15:30-15:45
Break
15:45-16:35
Shiwei Zhang (Flatiron Institute)
Auxiliary-field methods for quantum materials
16:45-17:10
Lightning Poster Session
17:10-18:45
Poster Session & Reception (Hosted by IPAM)

Tuesday, May 24, 2022

Morning Session

08:00-09:00
Check-In/Breakfast (Hosted by IPAM)
SESSION CHAIR: Marivi Fernandez Serrra
09:00-09:50
Giuseppe Carleo (École Polytechnique Fédérale de Lausanne (EPFL))
Virtual Talk: “Fermionic neural-network quantum states”.
10:00-10:15
Break
10:15-10:55
Claudia Filippi (Universiteit Twente)
Virtual Talk: Targeting excited states with quantum Monte Carlo
11:05-11:30
Break
11:30-12:20
Leslie Vogt-Maranto (New York University)
Molecular Electron Densities via Machine Learning

Afternoon Session

12:30-14:30
Lunch (on your own)
SESSION CHAIR: Jonathan Weare
14:30-15:20
Raymond Clay (Sandia National Laboratories)
Opportunities for Machine Learning in Equation of State and Transport Modeling at Extreme Conditions
15:30-16:00
Break
16:00-16:50
Sandeep Sharma (California Institute of Technology)
Auxiliary field quantum Monte Carlo (AFQMC) with multi Slater wavefunctions

Wednesday, May 25, 2022

Morning Session

08:00-09:00
Check-In/Breakfast (Hosted by IPAM)
SESSION CHAIR: Aurora Pribram-Jones
09:00-09:50
Juan Carrasquilla (Vector Institute)
Variational Neural Annealing
10:00-10:15
Break
10:15-11:05
Andrea Tirelli (International School for Advanced Studies (SISSA/ISAS))
Virtual Talk: TBA
11:15-11:30
Break
11:30-12:20
Anouar Benali (Argonne National Laboratory)
Virtual Talk: Using multideterminant many-body methods to describe ground state and excited state properties of strongly correlated materials

Afternoon Session

12:30-14:30
Lunch (on your own)
SESSION CHAIR: Lucas Wagner
14:30-15:20
Robert Webber (California Institute of Technology)
Approximating matrix eigenvalues by subspace iteration with repeated random sparsification
15:30-16:00
Break
16:00-16:50
Jan Hermann (Freie Universität Berlin)
Neural-network wave functions for quantum chemistry

Thursday, May 26, 2022

Morning Session

08:00-09:00
Check-In/Breakfast (Hosted by IPAM)
SESSION CHAIR: Mark Tuckerman
09:00-09:50
William Foulkes (Imperial College London)
Approximating Many-Electron Wave Functions using Neural Networks
10:00-10:15
Break
10:15-11:05
Kieron Burke (University of California, Irvine (UCI))
'Conditional probability density functional theory'
11:15-11:30
Break
11:30-12:20
David Ceperley (University of Illinois at Urbana-Champaign)
Quantum Monte Carlo and Machine Learning Simulations of Dense Hydrogen

Afternoon Session

12:30-14:00
Lunch (on your own)
SESSION CHAIR: Shiwei Zhang
14:00-14:50
Marivi Fernandez-Serra (SUNY Stony Brook)
Machine learning approaches to improve the exchange and correlation functional in density functional theory.
15:00-15:15
Break
15:15-16:05
Lucas Wagner (University of Illinois at Urbana-Champaign)
Obtaining compact representations of excited states from QMC, and using those excited states as data for low-energy models
16:15-16:30
Break
16:30-17:20
Mark Tuckerman (New York University)
An exact formulation of quantum time correlation functions in terms of an open-chain path integral distribution

Friday, May 27, 2022

Morning Session

08:00-09:00
Check-In/Breakfast (Hosted by IPAM)
SESSION CHAIR: TBD
09:00-09:50
Julia Westermayr (University of Warwick)
Physically inspired machine learning for excited states
10:00-10:15
Break
10:15-11:05
Michael Scherbela (University of Vienna)
Chasing the ground-state: High accuracy wavefunctions using deep-learning-based variational Monte Carlo
11:15-11:30
Break
11:30-12:20
Ilyes Batatia (University of Cambridge)
Unified understanding of E(3)-Equivariant Interatomic Potentials : Theory and Applications
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