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Compared to ground state electronic structure optimizations, accurate simulations of molecular real-time electron dynamics are usually much more difficult to perform. To simulate electron dynamics, the time-dependent density matrix…

Chemical Physics · Physics 2024-11-15 Imam S. Wahyutama , Henrik R. Larsson

We propose a simple modification of the density matrix renormalization group (DMRG) method in order to tackle strongly disordered quantum spin chains. Our proposal, akin to the idea of the adaptive time-dependent DMRG, enables us to reach…

Strongly Correlated Electrons · Physics 2018-11-14 J. C. Xavier , J. A. Hoyos , E. Miranda

We explore the universal signatures of quantum phase transitions that can be extracted with the density matrix renormalization group (DMRG) algorithm applied to quantum chains with a gradient. We present high-quality data collapses for the…

Strongly Correlated Electrons · Physics 2024-10-04 Natalia Chepiga

We introduce an efficient method to calculate the ground state of one-dimensional lattice models with periodic boundary conditions. The method works in the representation of Matrix Product States (MPS), related to the Density Matrix…

Strongly Correlated Electrons · Physics 2010-02-16 Peter Pippan , Steven R. White , Hans Gerd Evertz

We have devised and implemented a local ab initio Density Matrix Renormalization Group (DMRG) algorithm to describe multireference nondynamic correlations in large systems. For long molecules that are extended in one of their spatial…

Strongly Correlated Electrons · Physics 2009-11-11 Johannes Hachmann , Wim Cardoen , Garnet Kin-Lic Chan

An algorithm of the tensor renormalization group is proposed based on a randomized algorithm for singular value decomposition. Our algorithm is applicable to a broad range of two-dimensional classical models. In the case of a square…

Statistical Mechanics · Physics 2018-03-23 Satoshi Morita , Ryo Igarashi , Hui-Hai Zhao , Naoki Kawashima

We present a tree-tensor-network-based method to study strongly correlated systems with nonlocal interactions in higher dimensions. Although the momentum-space and quantum-chemistry versions of the density matrix renormalization group…

Strongly Correlated Electrons · Physics 2010-11-08 Valentin Murg , Örs Legeza , Reinhard M. Noack , Frank Verstraete

Infinite projected entangled-pair states (iPEPS) provide a powerful tool for studying strongly correlated systems directly in the thermodynamic limit. A core component of the algorithm is the approximate contraction of the iPEPS, where the…

Strongly Correlated Electrons · Physics 2026-05-12 Yining Zhang , Qi Yang , Philippe Corboz

The impact of the maximally possible batch size (for the better runtime) on performance of graphic processing units (GPU) and tensor processing units (TPU) during training and inference phases is investigated. The numerous runs of the…

Machine Learning · Computer Science 2019-04-04 Yuriy Kochura , Yuri Gordienko , Vlad Taran , Nikita Gordienko , Alexandr Rokovyi , Oleg Alienin , Sergii Stirenko

Anisotropic Tensor Renormalization Group (ATRG) is a powerful algorithm for four-dimensional tensor network calculations. However, the larger bond dimensions are known to be difficult to achieve in practice due to the higher computational…

High Energy Physics - Lattice · Physics 2025-01-28 Yuto Sugimoto , Shoichi Sasaki

This whitepaper proposes the design and adoption of a new generation of Tensor Processing Unit which has the performance of Google's TPU, yet performs operations on wide precision data. The new generation TPU is made possible by…

Hardware Architecture · Computer Science 2017-06-13 Eric B. Olsen

In order to extend the density-matrix renormalization-group (DMRG) method to two-dimensional systems, we formulate two alternative methods to prepare the initial states. We find that the number of states that is needed for accurate energy…

Condensed Matter · Physics 2007-05-23 Shoudan Liang , Hanbin Pang

Monte Carlo methods are critical to many routines in quantitative finance such as derivatives pricing, hedging and risk metrics. Unfortunately, Monte Carlo methods are very computationally expensive when it comes to running simulations in…

Distributed, Parallel, and Cluster Computing · Computer Science 2020-01-29 Francois Belletti , Davis King , Kun Yang , Roland Nelet , Yusef Shafi , Yi-Fan Chen , John Anderson

The bottleneck part of anisotropic tensor renormalization group (ATRG) is a swapping bonds part which consists of a contraction of two tensors and a partial singular value decomposition of a matrix, and their computational costs are…

Statistical Mechanics · Physics 2019-08-21 Hideaki Oba

Nanoscale topological spin textures in magnetic systems are emerging as promising candidates for scalable quantum architectures. Despite their potential as qubits, previous studies have been limited to semiclassical approaches, leaving a…

Mesoscale and Nanoscale Physics · Physics 2025-08-19 Guanxiong Qu , Ji Zou , Daniel Loss , Tomoki Hirosawa

The functional renormalisation group (fRG) has evolved into a versatile tool in condensed matter theory for studying important aspects of correlated electron systems. Practical applications of the method often involve a high numerical…

Computational Physics · Physics 2016-09-21 Daniel Rohe

The symmetrized Density-Matrix-Renormalization-Group (DMRG) method is used to study linear and nonlinear optical properties of Free base porphine and metallo-porphine. Long-range interacting model, namely, Pariser-Parr-Pople (PPP) model is…

Mesoscale and Nanoscale Physics · Physics 2015-05-30 Manoranjan Kumar , Y. Anusooya Pati , S. Ramasesha

The density-matrix renormalization group (DMRG) applied to transfer matrices allows it to calculate static as well as dynamical properties of one-dimensional quantum systems at finite temperature in the thermodynamic limit. To this end the…

Strongly Correlated Electrons · Physics 2007-12-20 S. Glocke , A. Klümper , J. Sirker

We investigate the application of the density-matrix renormalization group (DMRG) algorithm to a one-dimensional harmonic oscillator chain and compare the results with exact solutions, aiming to improve the algorithm efficiency. It has been…

Quantum Physics · Physics 2015-06-19 Yongjun Ma , Jiaxiang Wang , Xinye Xu , Qi Wei , Sabre Kais

Many architects believe that major improvements in cost-energy-performance must now come from domain-specific hardware. This paper evaluates a custom ASIC---called a Tensor Processing Unit (TPU)---deployed in datacenters since 2015 that…

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