Workshop Program and Schedule

Topics covered at the 20th Annual Workshop on Recent Developments in Electronic Structure Methods include:

QMC methods
Density Functional Theory
Methods for Correlated Electrons
Petascale Computing
Computational Materials

The scientific program will run from Wednesday morning, June 18 until lunchtime on Friday, June 20. The workshop will include:

a reception on the evening of Tuesday, June 17th at the Alumni Center.
a lecture and reception on the evening of Wednesday, June 18th at the National Center for Supercomputing Applications (NCSA)
a conference banquet on Thursday evening, June 19 at the Alumni Center.

One of the issues facing the condensed matter community is to identify exciting problems that could be addressed with new advances in petascale computing. What problems are doable at such a scale and what are the technical challenges that we need to start working on now? Consequently, a theme of this year's workshop is petascale computing, and we are asking all of the speakers to address this issue, when possible.

Schedule

Unless indicated otherwise, workshop talks will take place in Room 190, Engineering Sciences Building. The breaks and lunches will take place in the Materials Research Laboratory (MRL), 104 South Goodwin Avenue, Urbana. These two buildings are adjacent, and linked on the 2nd and 3rd floors.
Events which we plan to web-archive are indicated with a video icon .
A 40-minute invited talk consists of 30 minutes for presentation, 8 minutes for Q&A, and 2 minutes for switching presenters.

Tuesday, June 17, 2008
All day	Check into housing (Check-in desk staffed 24 hours a day) Location: Sherman Residence Hall
5:30–6:00pm	Poster Session Setup Location: MRL, 2nd floor
6:00–8:00pm	Welcome Reception and Workshop Registration Location: Alumni Center, Bresee Lounge
Wednesday, June 18, 2008
8:15–8:45am	Coffee (Location: Room 280 MRL)
8:45–9:00am	Opening Remarks David Ceperley and Duane D. Johnson, University of Illinois
Theme: DFT
Chair: Lucia Reining, CNRS-Ecole Polytechnique
9:00–9:40am	Predicting crystal structures by random searching Richard Needs, Cambridge University Abstract
9:40–10:20am	Quasi-two-dimensional electronic states in a dense three-dimensional Li-Be alloy Richard Hennig, Cornell University
10:20–10:50am	Break
10:50–11:30am	Applications of the van der Waals density functional to DNA and metal organic framework materials Valentino Cooper, Rutgers University
11:30am– 12:10pm	Efficient algorithms for the electronic structure of nanocrystals Tzu-Liang Chan, University of Texas at Austin
12:10–1:15pm	Lunch (Location: 2nd floor MRL)
Chair: Jim Chelikowsky, University of Texas
1:15–1:55pm	CANCELLED -- Microscopic representations of the dielectric response in ice and water Deyu Lu, University of California, Davis
1:55–2:35pm	Ab initio calculations of electronic response ingredients, results and challenges Lucia Reining, Ecole Polytechnique, Palaiseau, France
2:35–4:10pm	Poster session A (Location: 2nd floor MRL)
4:10–4:50pm	GW-BSE Calculation of the Optical Response of Spin Polarized Materials and Nanostructures Li Yang, UC Berkeley
Theme: Petascale computing
Chair: David Ceperley, University of Illinois
5:15–6:00pm	Techniques for Developing Efficient Petascale Applications Laxmikant Kale, NCSA (Location: NCSA Auditorium)
6:00–6:30pm	Discussion: Petascale Computing (Location: NCSA Auditorium)
6:30–8:00pm	Reception (Location: NCSA 1st floor lobby)
Thursday, June 19, 2008
8:15–9:00am	Coffee (Location: Room 280 MRL)
Theme: Quantum monte carlo
Chair: Cyrus Umrigar, Cornell University
9:00–9:40am	Fullerenes: a workbench for many-body theories benchmarks Fernando Reboredo, Oak Ridge National Laboratory
9:40–10:20am	Recent progress with Lattice Regularized Diffusion Monte Carlo Sandro Sorella, SISSA, Trieste, Italy
10:20–10:50am	Break
10:50–11:30am	Diagrammatic Monte Carlo simulation of quantum impurity models Phillip Werner, Columbia University
11:30am–12:10pm	A stochastic independent-electron approach for correlated system Shiwei Zhang, College of William and Mary, Williamsburg, Virginia Abstract
12:10–1:10pm	Lunch (Location: 2nd floor MRL) ESW 2009 Planning Meeting: Attendance by Organizing Committe Members only (Location: TBA)
1:10–2:30pm	Poster session B (Location: 2nd floor MRL)
Theme: strongly correlated systems
Chair: Dallas Trinkle, University of Illinois
2:30–3:20pm	Synergistic Opportunities for ARPES and Theory of Correlated Electron Solids James W. Allen, University of Michigan, Ann Arbor
3:20–4:00pm	Transition Metal Oxides: Mott Transition under Pressure Jan Kunes, University of Augsburg, Germany
4:00–4:20pm	Break (Location: ESB Lobby directly outside Room 190)
4:20–5:00pm	Constrained RPA calculations of the Hubbard U Ferdi Aryasetiawan, Chiba University, Japan
6:00–7:00pm	Conference Banquet (Location: Alumni Center, Ballroom)
6:30pm	Group Photo (Location: North Entrance Alumni Center, or inside atrium stairs in case of rain)
7:00–9:00pm	Conference Banquet: Dinner (Location: Alumni Center, Ballroom) Awards presentation for poster presentations: “Best Student Poster–Day 1: Frank Petruzielo, Cornell University “Best Student Poster–Day 2: Andrei Malashevich, Rutgers University “People’s Choice” Award: Hyoungki Park, The Ohio State University “Honorable Mention”: Hanghui Chen, Yale University
Friday, June 20, 2008
8:15–9:00am	Coffee (Location: Room 280 MRL)
Chair: Mei-Yin Chou, Georgia Institute of Technology
9:00–9:40am	First-Principles Simulations in Planetary Science Burkhard Militzer, University of California at Berkeley CANCELLED -- Partition Theory; Further Developments Morrell Cohen, Rutgers University
Theme: Berry's phase
9:40–10:20am	Tunneling conductance of molecular wires Emil Prodan, Yeshiva University, New York Abstract
10:20–10:40am	Break
10:40–11:20am	Ab-initio pseudopotential theory of the orbital magnetization Davide Ceresoli, SISSA, Trieste, Italy Abstract
11:20am–noon	Berry phase effects on electron properties Qian Niu, University of Texas at Austin
noon–12:15pm	Concluding remarks Richard Martin, University of Illinois and Stanford University
12:15 –1:15pm	Lunch (Location: 2nd floor MRL) This lunch will consist of an assortment of boxed salads/sandwiches and bottled drinks, for easy transporting. The southbound 27 AirBus stops at the Materials Research Laboratory at 11:20am, 1:30pm, 2:20pm, and 3:30pm.

Updated Thursday, 08-May-2008 17:40:35 CDT