QMCPACK Users Workshop 2019

14-15th May 2019, Oak Ridge. Full details and registration at https:://qmc2019.ornl.gov. Travel support available. Apply by 2 April 2019.

This 2-day workshop is intended for current users, developers and potential future users of the QMCPACK quantum Monte Carlo code. Today, QMC methods are among the most accurate electronic structure methods, providing an important computational tool for performing many-body calculations for a broad range of electronic systems, from weakly bound molecules to strongly correlated solids.

The workshop will cover recently added features, planned improvements, the NEXUS workflow system, and user research presentations. The schedule will include significant time for discussion among participants and interaction with current developers in an informal atmosphere. To make best use of the workshop, attendees should have some familiarity with electronic structure and Monte Carlo.

Limited travel support is available.

Topics

  • User requests for QMCPACK development roadmap
  • Auxiliary Field Quantum Monte Carlo in QMCPACK
  • High-accuracy molecular calculations using selected CI
  • Advances in pseudopotentials for many-body calculations
  • PySCF integration for molecules and solids
  • Running solids efficiently at large scale
  • NEXUS workflow system

The workshop will repeat annually and cover varying topics each year.

Schedule

The workshop is expected to run for two full days, 8.30am-5pm on Tuesday 14th and Wednesday 15th.  A detailed schedule is in preparation.

Organizers

  • Paul Kent (ORNL)
  • Anouar Benali (ANL)
  • Jaron Krogel (ORNL)
  • Ye Luo (ANL)
  • Lubos Mitas (NCSU)
  • Miguel Morales (LLNL)
  • Eric Neuscamman (UC Berkeley)
  • Luke Shulenburger (SNL)