Moorea Workshop

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The Next Generation of Quantum Simulations


April 30th - May 6th, 2009


We will meet on the centrally located island of Moorea in French Polynesia. The Richard P. Gump research station, run and subsidized by UC Berkeley, houses a cost effective meeting facility ideal for small workshops. The location is roughly equidistant from many of the host institutions of proposed participants on the Pacific rim.


Description of Meeting

Advances in numerical methods applied to quantum systems move at a rapid pace, as do increases in available computing power. For a given problem a variety of numerical techniques are available; some are outdated and some not. What techniques should one use? We shall focus our workshop on quantum condensed matter since there are a wealth of new algorithms and codes being developed in this area, including significant advances in dynamical mean field theory, quantum Monte Carlo, density matrix renormalization group, etc. Our workshop will address three general topics to streamline access to such methods.

We will first collect and critically analyze state-of-the-art numerical methods and identify specific scientific problems that can be addressed with these methods. A significant number of strongly interacting, many-body models can now be essentially solved using recent advances. Problems in quantum magnetism, Helium (and bosonic systems in general) and superconductivity (to name a few) can now be studied. For example, recent advances in quantum Monte Carlo methods allow treatment of a broad variety of problems through non-local updating (e.g., the loop and worm algorithm), including studies of supersolids and of cold atomic gases. This technique can be readily applied to problems that are free from the Monte Carlo sign problem. As another example, density matrix renormalization group has been applied to dynamic problems, opening the door to a variety of new applications to time dependent, strongly correlated systems. We will identify multiple techniques and connect varieties of each technique with specific problems and computing architectures for which they are best suited.

We will then identify challenges for large-scale simulations using petaflop computers. Petaflop computers have recently been realized and consist of over 100,000 shared memory cores. New algorithms need to be developed for these machines, because essentially no numerical techniques have been designed to take advantage of this tremendous resource. What problems will benefit from petaflop computing and what directions do we take in designing applicable algorithms? We will identify relevant problems and look ahead to the design of new algorithms that may significantly advance petaflop simulations in quantum condensed matter.

And finally, we will look at the issue of provenance in quantum condensed matter simulations. Can we develop a scheme to collectively organize quantum simulations so that results are reproducible and catalogued? To date, few standards exist to address such questions. Codes and result details are typically not preserved and are often lost, making reproducibility a key problem in quantum condensed matter (and numerical studies in general). We will assess the need for simulation standards designed to record details (e.g., compiler options, timing, parameters, code versions, hardware) efficiently. This will include the identification of future tools for the community that make recording, and therefore reproducibility, essentially automatic.


  • Algorithms
    • Classical and quantum Monte Carlo algorithms
    • Parallel tempering and generalized ensembles
    • Density Matrix Renormalization Group methods
    • Diagonalization methods
    • Series expansions
    • DMFT methods
  • High Performance Computing
    • Parallelization on massively parallel machines
    • Handling of large data sets
  • Data handling
    • Formats
    • Storage and Archiving
    • Data analysis
    • Visualization
  • Education
  • Outreach


Flights are available

  • nonstop from
    • Los Angeles (8 hours) on TN, AF, NZ
    • New York (12 hours) on TN
    • Sydney (8 hours) on TN
    • Tokyo (9 hours) on TN, JL
  • direct connections with a refulelling stop from
    • Frankfurt (via Los Angeles, 22 hours) on NZ
    • Paris (via Los Angeles, 22 hours) on TN,AF
    • Santiago (via Easter Island, 12 hours) on LN
  • connections with one change of airplane from
    • Brisbane
    • Hong Kong
    • Sao Paulo
    • Zurich

From Papeete you can either take a flight (10 minutes), high speed cat (30 minutes) or normal ferry (1 hour) to Moorea



  • Vito Scarola (ETH, Switzerland / UC Berkeley, USA) -- yes, own funding
  • Synge Todo (Tokyo, Japan) -- yes, own funding
  • K. Birgitta Whaley (UC Berkeley, USA) -- yes, partial funding
  • Ian McCulloch (University of Queensland, Australia)
  • Matthias Troyer (ETH, Switzerland) -- yes, own funding

Tentative List Of Participants

  • Adrian Feiguin (UC Santa Barbara, USA) -- yes, own funding?
  • Andreas Honecker (Göttingen, Germany)
  • Anatoly Kuklov (CUNY, USA) -- yes, UMass grant
  • Andreas Läuchli (MPI Dresden, Germany) -- yes, partial funding
  • Bela Bauer (ETH, Switzerland) -- yes, own funding
  • Boris Svistunov (UMass Amherst, USA) -- yes, UMass grant
  • Claudio Silva (U of Utah ,USA) -- or his student, partial funding
  • David Ceperley (U Illinois, USA) -- yes, partial funding
  • Didier Poiblanc (Toulouse, France) -- yes, own funding
  • Emanuel Gull (ETH, Switzerland) -- yes, funding unclear
  • Fabien Alet, (Toulouse, France) -- let us try French funding
  • Francois Gygi (UC Davis, USA)
  • Frank Verstraete (Vienna, Austria) -- yes, own funding
  • George Batrouni (Nice, France) -- let us try French funding
  • Gabriel Kotliar (Rutgers, USA)
  • Guifre Vidal (Brisbane, Australia) -- yes, own funding
  • Juilana Freire (U of Utah, USA) -- if we have funding
  • Karen Hallberg (Bariloche, Argentina) -- yes, would be good but let us wait for PITP funding
  • Massimo Boninsegni (U of Alberta, Canada)
  • Naoki Kawashima (Tokyo, Japan) -- yes, partial funding?
  • Nikolai Prokofev (UMass Amherst, USA) -- will be away
  • Olivier Parcollet (Paris, France) -- let us try French funding
  • Peter Drummond (Brisbane, Australia)
  • Roger Melko (U of Waterloo, Canada)
  • Sebastian Fuchs (Göttingen, Germany) -- if he has own funding
  • Sandro Sorella (Trieste, Italy) -- let us wait for PITP
  • Simon Trebst (Santa Barbara, Microsoft) -- yes, own funding
  • Steven White (UC Irvine, USA) -- yes, partial funding
  • Thomas Pruschke (Göttingen, Germany)
  • Thomas Maier (ORNL, USA) -- yes, own funding?
  • Thomas Schulthess (ORNL, USA) -- yes, own funding?
  • Ulrich Schollwöck (RWTH Aachen, Germany) -- yes, own funding?