QUEST: QUantum Electron Simulation Toolbox
- National Tsing Hua University, Taiwan
- ORNL
- Georgetown University
- University of California, Davis
- Louisiana State University
- Ohio Supercomputer Center
QUEST is a part of the SciDAC project on next generation multi-scale quantum simulation software for strongly correlated materials. It is a Fortran 90/95 package that implements the determinant quantum Monte Carlo (DQMC) method for simulation of magnetic, superconducting, and metal-insulator transitions in model Hamiltonians. In this paper, we show how QUEST is capable of treating lattices of unprecedentedly large sizes and how this can be fruitful in the study of the physics of trapped fermionic system, in the development of more efficient solvers for Dynamical Mean Field Theory (DMFT) and as a tool to test and, in the future, improve diagrammatic approaches such as the Parquet approximation. We will also present a range of synergistic activities on the development of stable and robust numerical algorithms and hybrid granularity parallelization scheme that combines algorithmic and implementation techniques to high-performance DQMC simulation. The work reported here is a key step forward in achieving the goals of our SciDAC project.
- Research Organization:
- Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
- Sponsoring Organization:
- USDOE Office of Science (SC); USDOE National Nuclear Security Administration (NNSA)
- DOE Contract Number:
- DE-AC05-00OR22725
- OSTI ID:
- 1004666
- Resource Relation:
- Conference: SciDAC 2010, Chattanooga, TN, USA, 20100711, 20100715
- Country of Publication:
- United States
- Language:
- English
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