QMC in the Next Decade
Workshop
When
-
All Day
-
All Day
-
All Day
-
All Day
Where
160 Fifth Avenue
New York, NY 10010
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 |
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