Ulybyshev, Maksim and Kintscher, Nils and Kahl, Karsten and Buividovich, Pavel (2019) Schur complement solver for Quantum Monte-Carlo simulations of strongly interacting fermions. COMPUTER PHYSICS COMMUNICATIONS, 236. pp. 118-127. ISSN 0010-4655, 1879-2944
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We present a non-iterative solver based on the Schur complement method for sparse linear systems of special form which appear in Quantum Monte-Carlo (QMC) simulations of strongly interacting fermions on the lattice. While the number of floating-point operations for this solver scales as the cube of the number of lattice sites, for practically relevant lattice sizes it is still significantly faster than iterative solvers such as the Conjugate Gradient method in the regime of strong inter-fermion interactions, for example, in the vicinity of quantum phase transitions. The speed-up is even more dramatic for the solution of multiple linear systems with different right-hand sides. We present benchmark results for QMC simulations of the tight-binding models on the hexagonal graphene lattice with on-site (Hubbard) and non-local (Coulomb) interactions, and demonstrate the potential for further speed-up using GPU. (C) 2018 Elsevier B.V. All rights reserved.
| Item Type: | Article |
|---|---|
| Uncontrolled Keywords: | ; Interacting fermions; Quantum Monte-Carlo; Schur complement method |
| Subjects: | 500 Science > 530 Physics |
| Divisions: | Physics > Institute of Theroretical Physics |
| Depositing User: | Dr. Gernot Deinzer |
| Date Deposited: | 17 Apr 2020 05:31 |
| Last Modified: | 17 Apr 2020 05:31 |
| URI: | https://pred.uni-regensburg.de/id/eprint/27505 |
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