QMCPACK-logo

14-15 May 2019
Oak Ridge National Laboratory, Tennessee

Registration deadline: Tuesday 2 April 2019

This 2-day workshop is intended for current users, developers and potential future users of the QMCPACK quantum Monte Carlo code. 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

In May 2019 we expect to cover at least:

  • 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)

For logistical requires contact Erica Valentine.

Location

The workshop will be held onsite at Oak Ridge National Laboratory, in the Spallation Neutron Source office building, 8610 C156.

Note: ride share services do not have access to the Laboratory site. Access via rental car is recommended.

Meals

A continental breakfast and working lunch will be provided.

Accommodation


ORNL Guest House
ORNL Guesthouse, Oak Ridge, TN

We recommend booking accommodation at the onsite ORNL guesthouse. The meeting location is walking distance from the guest house.

Application

Please await confirmation before making travel arrangements.