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We present an implementation of the relativistic quantum-chemical density matrix renormalization group (DMRG) approach based on a matrix-product formalism. Our approach allows us to optimize matrix product state (MPS) wave functions…

Chemical Physics · Physics 2017-10-24 Stefano Battaglia , Sebastian Keller , Stefan Knecht

The density matrix renormalization group (DMRG) method generates the low-energy states of linear systems of $N$ sites with a few degrees of freedom at each site by starting with a small system and adding sites step by step while keeping…

Strongly Correlated Electrons · Physics 2016-10-05 Manoranjan Kumar , Dayasindhu Dey , Aslam Parvej , S. Ramasesha , Zoltán G. Soos

The Density Matrix Renormalization Group (DMRG) has become a powerful numerical method that can be applied to low-dimensional strongly correlated fermionic and bosonic systems. It allows for a very precise calculation of static, dynamic and…

Strongly Correlated Electrons · Physics 2008-11-26 Karen Hallberg

In recent years, experimental techniques have enabled the creation of endofullerene peapod nanomolecular assemblies. It was previously suggested that the rotor model resulting from the placement of dipolar linear rotors in one-dimensional…

Chemical Physics · Physics 2018-05-16 Dmitri Iouchtchenko , Pierre-Nicholas Roy

We propose a density matrix renormalization group (DMRG) technique at finite temperatures. As is the case of the ground state DMRG, we use a single-target state that is calculated by making use of a regulated polynomial expansion. Both…

Strongly Correlated Electrons · Physics 2009-03-09 Shigetoshi Sota , Takami Tohyama

We revisit the corner transfer matrix renormalization group (CTMRG) method of Nishino and Okunishi for contracting two-dimensional (2D) tensor networks and demonstrate that its performance can be substantially improved by determining the…

Strongly Correlated Electrons · Physics 2019-01-02 M. T. Fishman , L. Vanderstraeten , V. Zauner-Stauber , J. Haegeman , F. Verstraete

Tensor processing units (TPUs) are one of the most well-known machine learning (ML) accelerators utilized at large scale in data centers as well as in tiny ML applications. TPUs offer several improvements and advantages over conventional ML…

Hardware Architecture · Computer Science 2024-07-12 Mohammed Elbtity , Peyton Chandarana , Ramtin Zand

Ground-state preparation is a fundamental task in quantum simulation, because the overlap of the prepared state with the true ground state significantly affects the overall cost of subsequent quantum algorithms. We propose a three-stage…

Quantum Physics · Physics 2026-05-29 Masari Watanabe , Hirofumi Nishi , Taichi Kosugi , Shinji Tsuneyuki , Yu-ichiro Matsushita

Recommendation systems, social network analysis, medical imaging, and data mining often involve processing sparse high-dimensional data. Such high-dimensional data are naturally represented as tensors, and they cannot be efficiently…

Distributed, Parallel, and Cluster Computing · Computer Science 2020-10-22 Weiyun Jiang , Kaiqi Zhang , Colin Yu Lin , Feng Xing , Zheng Zhang

Accurate electronic structure calculations are essential in modern materials science, but strongly correlated systems pose a significant challenge due to their computational cost. Traditional methods, such as complete active space…

Chemical Physics · Physics 2024-12-11 Pavlo Golub , Chao Yang , Vojtěch Vlček , Libor Veis

The fuzzy sphere regularization provides a powerful framework for studying three-dimensional (3D) conformal field theories (CFTs) by mapping them onto numerically tractable lattice models on the spherical lowest Landau level. However, the…

Strongly Correlated Electrons · Physics 2026-01-27 Jin-Xiang Hao , Zheng Zhu , Yang Qi

We describe a low cost alternative to the standard variational DMRG (density matrix renormalization group) algorithm that is analogous to the combination of selected configuration interaction plus perturbation theory (SCI+PT). We denote the…

Chemical Physics · Physics 2018-03-28 Sheng Guo , Zhendong Li , Garnet Kin-Lic Chan

Systems of Y-junctions are interesting both from a fundamental viewpoint and because of their potential use in nanoscale devices. These systems can be studied numerically with the density matrix renormalization group(DMRG), but existing…

Strongly Correlated Electrons · Physics 2007-05-23 Haihui Guo , Steven R. White

Matrix product states (MPS) and matrix product operators (MPOs) are one dimensional tensor networks that underlie the modern density matrix renormalization group (DMRG) algorithm. The use of MPOs accounts for the high level of generality…

Strongly Correlated Electrons · Physics 2020-05-27 Matthew J. O'Rourke , Garnet Kin-Lic Chan

A key property of many-body localization, the localization of quantum particles in systems with both quenched disorder and interactions, is the area law entanglement of even highly excited eigenstates of many-body localized Hamiltonians.…

Strongly Correlated Electrons · Physics 2017-01-11 Xiongjie Yu , David Pekker , Bryan K. Clark

We develop a correction to the density matrix used in density matrix renormalization group calculations to take into account the incompleteness of the environment block. The correction allows successful calculations using only a single site…

Strongly Correlated Electrons · Physics 2016-08-31 Steven R. White

Tensor Processing Units (TPUs) are specialized hardware accelerators developed by Google to support large-scale machine-learning tasks, but they can also be leveraged to accelerate and scale other linear-algebra-intensive computations. In…

We show that numerical computations based on tensor renormalization group (TRG) methods can be significantly accelerated with PyTorch on graphics processing units (GPUs) by leveraging NVIDIA's Compute Unified Device Architecture (CUDA). We…

High Energy Physics - Lattice · Physics 2023-09-26 Raghav G. Jha , Abhishek Samlodia

In response to innovations in machine learning (ML) models, production workloads changed radically and rapidly. TPU v4 is the fifth Google domain specific architecture (DSA) and its third supercomputer for such ML models. Optical circuit…

The Density Matrix Renormalization Group (DMRG) method is developed for application to realistic nuclear systems. Test results are reported for 24Mg.

Nuclear Theory · Physics 2007-05-23 S. S. Dimitrova , S. Pittel , J. Dukelsky , M. V. Stoitsov
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