This workshop offered June 5-10, 2016 introduces fundamentals of quantum Monte Carlo (QMC) theory, and recent developments in methods and applications in physics, chemistry and materials sciences. Registration and an evening reception will be held on Sunday 5th June, while the workshop talks and hands-on labs will run Monday 6th to Friday 10th.
This workshop and training program focuses on QMC simulations of real materials. The workshop will introduce fundamentals of QMC theory, recent developments in methods and applications in physics, chemistry and materials sciences. It will provide hands-on tutorials using QMCPACK, an open-source QMC package, and Mira, Argonne National Lab’s 10-petaflops IBM Blue Gene/Q.
The QMC method is one of the most accurate electronic structure methods, providing an important computational tool for doing many-body calculations for a broad range of electronic systems, from weakly bound molecules to strongly correlated solids. The organizers, members of the Network for ab initio many-body methods, are QMC experts and developers of QMC methods, algorithms and of the QMCPACK software. They will serve as lecturers and tutors during the hands-on laboratory sessions. The participants can interact with the instructors throughout the training and are strongly encouraged to develop research programs using QMC before and after the training in collaboration with the organizers.
Organizers are Paul R. C. Kent, Oak Ridge National Laboratory; David M. Ceperley, University of Illinois; Anouar Benali, Argonne National Laboratory; Jaron K. Krogel, Oak Ridge National Laboratory; Miguel A. Morales, Lawrence Livermore National Laboratory; Luke Shulenburger, Sandia National Laboratories.
The workshop is funded by the Predictive Theory and Modeling for Materials and Chemical Science program of the Office of Basic Energy Sciences, U.S. Department of Energy. The training is also supported by the National Center for Supercomputing Applications, the Frederick Seitz Materials Research Laboratory, and the Physics Department at the University of Illinois.
The workshop will accommodate 40-45 participants, and 5-7 instructors. We expect the participants to have a background in electronic structure theory or quantum chemistry.
The school format includes morning lectures and afternoon interactive laboratories with the instructors. The core curriculum will address:
The program is intended for advanced graduate students, postdocs and research scientists with some experience in electronic structure methods, such as density functional theory or quantum chemistry methods. Preference will be given to those who are interested in applying QMC to their research and clearly communicate this in their application. Due to longer process times for visas, site and computer access, non-US citizens are encouraged to register early and contact the organization team at qmcworkshops at gmail.com as soon as possible.
There is a non-refundable $150 registration fee. Poster presenters will receive a $75 reduction on the registration fee. Housing and coffee breaks will be provided for all the participants. Some lunches and other meals will also be provided. Sponsored housing will be at the University of Illinois Illinois Street Residence Hall , in single-occupancy dorm rooms with shared bathrooms about a five-minute walk from the workshop. Room blocks are reserved at nearby hotels, but attendees are expected to cover the full cost of hotel rooms.
Very limited travel support is available based on need. Applicants should indicate their expected expenses and financial needs to attend the workshop when applying.