Published June 20, 2024
| Version v1
Journal article
Delay update in determinant quantum Monte Carlo
Creators
- 1. Key Laboratory of Artificial Structures and Quantum Control (Ministry of Education), School of Physics and Astronomy, Shanghai Jiao Tong University, Shanghai 200240, China
- 2. Hefei National Laboratory, Hefei 230088, China
Description
Determinant quantum Monte Carlo (DQMC) is a widely used unbiased numerical method for simulating strongly correlated electron systems. However, the update process in DQMC is often a bottleneck for its efficiency. To address this issue, we propose a generalized delay update scheme that can handle both on-site and extended interactions. Our delay update scheme can be implemented in both zero-temperature and finite-temperature versions of DQMC. We apply the delay update scheme to various strongly correlated electron models and evaluate its efficiency under different conditions. Our results demonstrate that the proposed delay update scheme significantly improves the efficiency of DQMC simulations, enabling it to simulate larger system sizes.
Additional details
Identifiers
- DOI
- 10.1103/PhysRevB.109.235140;
- arXiv
- arXiv:2308.12005;
- Crossref Funder ID
- 10.13039/501100012166; 10.13039/501100001809; 10.13039/501100004921;
Publishing Information
- Journal Title
- Physical Review B
- Journal Volume
- 109
- Journal Issue
- 23
- Journal Page Range
- 12 pgs.
- ISSN
- 1550-235X
INIS
- Country of Publication
- United States
- Country of Input or Organization
- International Atomic Energy Agency (IAEA)
- Subject category
- S97: MATHEMATICAL METHODS AND COMPUTING; S71: CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSICS;
- Descriptors DEI
- ADAPTIVE SYSTEMS; COMPUTERIZED SIMULATION; CONTROL THEORY; DATA-FLOW PROCESSING; DYNAMICAL SYSTEMS; EFFICIENCY; INTERACTIONS; MEMORY MANAGEMENT; MONTE CARLO METHOD; NUMERICAL ANALYSIS; OPTIMAL CONTROL; QUANTUM MECHANICS; RESPONSE MATRIX METHOD; SIMULATION; SUPERCOMPUTERS; TIME DELAY
- Descriptors DEC
- CALCULATION METHODS; COMPUTERIZED CONTROL SYSTEMS; COMPUTERS; CONTROL; DATA PROCESSING; DIGITAL COMPUTERS; EQUATIONS; MATHEMATICS; MECHANICS; ON-LINE CONTROL SYSTEMS; ON-LINE SYSTEMS; PROCESSING; PROGRAMMING; REACTOR KINETICS EQUATIONS; SIMULATION
Optional Information
- Copyright
- ©2024 American Physical Society
- Contract/Grant/Project number
- 2022YFA1402702; 2021YFA1401400; 12274289
- Notes
- Contact Email: Contact author: xiaoyanxu@sjtu.edu.cn; Record automatically processed
- Funding organization
- National Key Research and Development Program of China; National Natural Science Foundation of China; Shanghai Jiao Tong University