QMC in the Next Decade

Workshop

When

  • All Day

  • All Day

  • All Day

  • All Day

Where

162 Fifth Avenue, 9th Floor Classroom

160 Fifth Avenue

New York, NY 10010

QMC in the next decade — algorithms and softwares” is a small workshop that aims to provide an opportunity for the broad community to reconnect after the long interruption of covid. The workshop will discuss state of the art in QMC from a variety of application areas (condensed matter including both models and real materials, quantum chemistry, cold atoms, nuclear physics) and different algorithmic flavors. Through talks, posters by CCQ and outside participants, and informal discussions, the workshop will facilitate the exchange of ideas among QMC developers and practitioners, discuss future directions, explore opportunities, and stimulate collaborations.

Participants
Yoram Alhassid Yale University
Fakher Assaad University of Wurzberg
Federico Becca University of Trieste
Joe Carlson Los Alamos National Lab
Michele Casula CNRS
David Ceperley University of Illinois Urbana-Champaign
Bryan Clark University of Illinois Urbana-Champaign
Yuan-Yao He Northwest University/China
Markus Holzman University of Grenoble
Masatoshi Imada University of Tokyo/Waseda Research Institute
Paul Kent Oak Ridge National Laboratory
Ankit Mahajan University of Colorado Boulder
Lubos Mitas North Carolina State University
Olivier Parcollet CCQ
Nikolai Prokofiev University of Massachusetts Amherst
Fernando Reboredo Oak Ridge National Laboratory
Brenda Rubenstein Brown University
Anders Sandvick Boston University
Sandeep Sharma University of Colorado Boulder
James Shee University of California, Berkeley
Cyrus Umrigar Cornell University
Lucas Wagner University of Illinois Urbana-Champaign
Agenda

Tuesday, Sept. 20

8:00 – 9:00 AM Breakfast
9:00 – 9:45 AM (45) David Ceperley (University of Illinois) Prospects for Continuum Quantum Monte Carlo
9:45 – 10:30 AM (45) Lubos Mitas (North Carolina State University) Real-space electronic structure QMC: progress and prospects
10:30 – 11:00 AM (30) Break
11:00 – 11:45 AM (45) James Shee (Berkeley) Phaseless auxiliary-field quantum Monte Carlo beyond small-molecule, main-group chemistry
11:45 – 12:30 PM (45) Sandeep Sharma (University of Colorado) Low scaling algorithms for AFQMC
12:30 – 2:30 PM (2hr) Lunch
2:30- 4:00 PM (1hr 30min) Posters/Discussion
4:00- 4:30 PM (30) Break
4:30- 5:15 PM (45) Michele Casula (CNRS) Structural properties and phase transitions of hydrogen and hydrogen-rich compounds by quantum Monte Carlo
5:15- 6:00 PM (45) Nikolai Prokofiev (Umass Amherst) Fermionic Sign Problem: an exaggerated myth
6:30- 8:30 Dinner out at Restaurant

Wednesday, Sept. 21

8:00 – 9:00 AM Breakfast
9:00 – 9:45 AM (45) Masatoshi Imada (University of Tokyo) Variational Quantum Monte Carlo and Beyond
9:45 – 10:30 AM (45) Bryan Clark (University of Illinois) Simulating Fermions Accurately using Variational Monte Carlo with configuration dependent Slater Determinants
10:30 – 11:00 AM (30) Break
11:00 – 11:45 AM (45) Federico Becca (University of Trieste) Variational wave functions for spin models with anisotropic-exchange couplings or spin-phonon coupling
11:45 – 12:30 PM (45) Lucas Wagner (University of Illinois) Prospects for learning emergent physics from quantum Monte Carlo
12:30 – 2:30 PM (2hr) Lunch
2:30- 4:00 PM (1hr 30min) Discussion
4:00- 4:30 PM (30) Break
4:30- 5:15 PM (45) Fakher Assaad (University of Wurzberg) The Algorithms for Lattice Fermions (ALF) Library
5:15- 6:00 PM (45) Anders Sandvick (Boston University) Progress on analytic continuation of quantum Monte Carlo data
6:15- 8:30 Reception on the roof/Dinner on 2nd floor

Thursday, Sept. 22

8:00 – 9:00 AM Breakfast
9:00 – 9:45 AM (45) Joe Carlson (LANL) Real Time Dynamics in Neutrino and Electron Scattering from Nuclei
9:45 – 10:30 AM (45) Olivier Parcollet (CCQ) Real Time Diagrammatic QMC
10:30 – 11:00 AM (30) Break
11:00 – 11:45 AM (45) Yoram Alhassid (Yale) Projection methods in auxiliary-field quantum Monte Carlo
11:45 – 12:30 PM (45) Brenda Rubenstein (Brown) Entanglement in the Canonical Ensemble
12:30 – 2:30 PM (2hr) Lunch
2:30-4:00 PM (1hr 30min) Posters/Discussion
4:00- 4:30 PM (30) Break
4:30 – 5:15 PM (45) Fernando Reboredo (ORNL) Fermionic excitations on an auxiliar bosonic ground state and Pseudo Hamiltonians for transition metals
5:15 – 6:00 PM (30+10) Cyrus Umrigar (Cornell) Reducing the time-step error in Diffusion Monte Carlo and the prospects for an efficient algorithm with no time-step error

Friday, Sept. 23

8:00 – 9:00 AM Breakfast
9:00 – 9:45 AM (45) Yuan-Yao He (Northwest University, China) Finite-temperature grand-canonical calculations in the continuum – application to the 2D Fermi gas
9:45 – 10:30 AM (45) Ankit Mahajan (Columbia/University of Colorado) Systematically Improvable Auxiliary Field Quantum Monte Carlo for Molecules
10:30 – 11:00 AM (30) Break
11:00 – 11:45 AM (45) Paul Kent (ORNL) Challenges in applying QMC to materials in practice
11:45 – 12:30 PM (45) Closing
12:30 – 2:30 PM (2hr) Lunch
Poster Sessions

2:30-4:00pm, Tuesday and Thursday

Tyler Anderson Nonlocal pseudopotentials and time-step errors in diffusion Monte Carlo
Siyuan Chen Advancing the computation of observables with ab initio auxiliary-field quantum Monte Carlo
Kyle (Brandon) Eskridge Treatment of explicit spin-orbit coupling in ab initio AFQMC calculations
Chunhan Feng Phase diagram of the Su-Schrieffer-Heeger-Hubbard model on a square lattice
Scott Jensen Stable solid molecular hydrogen above 900K from a machine-learned potential trained with diffusion Quantum Monte Carlo
Garrett King Beta decay in light nuclei with quantum Monte Carlo methods
Tong Shen Auxiliary-field Quantum Monte Carlo in the Canonical Ensemble
Lukas Weber Quantum Monte Carlo and cavity QED: A magnetic quantum critical point coupled to quantum light.
Bo Xiao Quantum Simulation of Fermionic and Fermi-Bose Systems’
Zhiyu Xiao Recent developments in AFQMC: pseudo-BCS wave function self-consistency and constraint release
Hao Xu Stripes and spin-density waves in the doped two-dimensional Hubbard model: ground state phase diagram
Paul Yang Itinerary magnetism in moiré heoterobilayer

September 20, 2022

David Ceperley: Prospects for Continuum Quantum Monte Carlo

September 20, 2022

Lubos Mitas: Real-Space Electronic Structure QMC: Progress

September 20, 2022

Nikolai Prokofiev: Fermionic Sign Problem: An Exaggerated Myth

September 20, 2022

James Shee: Phaseless Auxiliary-Field Quantum Monte Carlo Beyond Small-Molecule, Main-Group Chemistry

September 20, 2022

Sandeep Sharma: Low Scaling Algorithms for AFQMC

September 20, 2022

Michele Casula: Structural Properties and Phase Transitions of Hydrogen and Hydrogen-Rich Compounds By Quantum Monte Carlo

September 21, 2022

Fakher Assad: The Algorithms for Lattice Fermions (ALF) Library

September 21, 2022

Frederico Becca: Variational Wave Functions for Spin Models With Anistropic-Exchange Couplings or Spin Phonon Coupling

September 21, 2022

Bryan Clark: Variational Wavefunctions for Fermions

September 21, 2022

Lucas Wagner: Prospects for Learning Emergent Physics from (First Principles) Quantum Monte Carlo

September 22, 2022

Projection methods in auxiliary-field quantum Monte Carlo

September 22, 2022

Olivier Parcollet: Real Time Diagrammatic QMC & Tensor Trained Diagrammatics

September 22, 2022

Joe Carlson: Real Time Dynamics in Neutrino and Electron Scattering from Nuclei

September 22, 2022

Brenda Rubenstein: Finite Temperature QMC in the Canonical Ensemble

September 23, 2022

Ankit Mahajan: Systematically Improvable Auxiliary Field Quantum Monte Carlo for Molecules

September 23, 2022

Yuan-Yao He: Finite-temperature grand-canonical calculations in the continuum – Application to the 2D Fermi gas

More Events

Speakers

Pilar Cossio, Jutta Rogal

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November 16–18, 2026

Speakers

Angel Rubio, Timothy Berkelbach, Jutta Rogal, Ankit Mahajan, Diptarka Hait, + 2 more

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