QMC in the Next Decade
- Organized by
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Shiwei Zhang, Ph.D.Senior Research Scientist/Group Leader, CCQ, Flatiron Institute -
Miguel Morales, Ph.D.Research Scientist, CCQ, Flatiron Institute
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.
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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 -
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 -
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