QUEST:
QUantum Electron Simulation Toolbox
Version 1.0.0
QUantum Electron Simulation Toolbox (QUEST) is a Fortran
90/95 package that implements the Determinant Quantum Monte Carlo (DQMC)
method for quantum electron simulations.
The original version of DQMC programs, developed by the condensed matter
theory group at UCSB including R. L Sugar, D. J. Scalapino, S. R. White,
and E. Y. Loh, and maintained by R. Scalettar, have been extensively
used to study magnetism, metal-insulator transitions, and superconductivity
in the Hubbard model. QUEST, the new version of DQMC simulations,
serves three purposes.
- To improve simulation performance: QUEST has improved the
performance of simulations by using new algorithms, like delayed
update, and by integrating modern numerical kernels, BLAS/LAPACK. A six
to eight times speedup had been observed for medium sized simulations.
- To integrate existing programs: QUEST has integrated many
legacy codes by modularizing their computational components, which
makes QUEST not only a single program, but a toolbox. The advantages of
modularization also include the ease of maintenance and the convenience
of program interfacing.
- To assist new simulations development: QUEST has several
desired properties for developing new simulations, such as the ability
of creating new lattice geometries. Several novel simulations had been
done by using QUEST.
Development of QUEST is supported through a
SciDAC (Scientific Discovery through Advanced Computing) grant
by the U.S. Department of Energy - Office of Science,
Advanced Scientific Computing Research and the National Nuclear
Security Agency under the contract
number DE-FC-02-06ER25793. It is a part of the project on
``Modeling
Materials at the Petascale:
next generation multi-scale quantum simulation software for
strongly correlated materials''.
QUEST is available as dqmc/quest1.0.tar.gz.
This tarred file can be extracted by
tar -xzf quest1.0.tar.gz
which will create a directory
QUEST_1.0
To compile the library, please read the README file, which can also be
found in the package directory.
pdf file of QUEST Users' Guide.
Currently, QUEST is still under development and debug.
Suggestions for improvement and bug report please send to
bai@cs.ucdavis.edu.
- C. N. Varney, C.-R. Lee, Z. J. Bai, S. Chiesa, M. Jarrell, R. T. Scalettar,
High Precision Quantum Monte Carlo Study of the 2D Fermion Hubbard Model.
(pdf file).
http://arxiv.org/abs/0903.2519
- E. Khatami, C. R. Lee, Z. J. Bai, R. T. Scalettar, M. Jarrell,
Dynamical Mean Field Theory Cluster Solver with Linear Scaling
in Inverse Temperature. (pdf file)
http://arxiv.org/abs/0904.1239
- R. Lee, I.H. Chung, Z. Bai,
Mixed granularity parallel scheme for determinant quantum Monte Carlo
simulations. Submitted to 2009 International Conference for High Performance
Computing, Networking, Storage and Analysis (SC09),
(pdf file)
- Z. Bai, W. Chen, R. Scalettar, I. Yamazaki,
Numerical methods for Quantum Monte Carlo Simulations of the
Hubbard Model. Technical Report CSE-2007-36, University of
California, Davis, Dec. 4, 2007 (revised Feb. 25, 2008).
(pdf file)
- Z. Bai, W. Chen, R. Scalettar, I. Yamazaki,
Robust and Efficient Numerical Linear Algebra Solvers and Applications
in Quantum Mechanical Simulations.
Proceedings of the 4th International Congress of Chinese Mathematician (ICCM),
Edited by L. Ji, K. Liu, L. Yang, S.-T. Yau, Vol.III,
pp.253--268, Higher Education Press, 2007
(pdf file)
- I. Yamazaki,
High-quality preconditioning techniques for multi-length-scale
symmetric positive definite matrices and their applications to the
hybrid quantum Monte Carlo simulation of the Hubbard model.
PhD Thesis, Department of Computer Science, University of California,
Davis, June 2008
- I. Yamazaki, Z. Bai, W. Chen and R. Scalettar,
A high-quality preconditioning
technique for multi-length-scale symmetric positive definite linear systems.
(pdf file), submitted to
Numerical Mathematics: Theorey, Methods and Applications, April 2009
- Z. Bai, C. R. Lee, R.-C. Li and S. Xu,
Stable solution of linear system involving long chain of
matrix multiplications .. in final revision ...
Maintained by Zhaojun Bai, bai@cs.ucdavis.edu
