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Quantum computers (QC) could harbor the potential to significantly advance materials simulations, particularly at the atomistic scale involving strongly correlated fermionic systems where an accurate description of quantum many-body effects…

Motivated by recent developments in conformal field theory (CFT), we devise a Quantum Monte Carlo (QMC) method to calculate the moments of the partially transposed reduced density matrix at finite temperature. These are used to construct…

Strongly Correlated Electrons · Physics 2014-08-08 Chia-Min Chung , Vincenzo Alba , Lars Bonnes , Pochung Chen , Andreas M. Läuchli

Quantum computing and quantum Monte Carlo (QMC) are respectively the state-of-the-art quantum and classical computing methods for understanding many-body quantum systems. Here, we propose a hybrid quantum-classical algorithm that integrates…

Quantum Physics · Physics 2025-11-17 Yukun Zhang , Yifei Huang , Jinzhao Sun , Dingshun Lv , Xiao Yuan

Quantum Monte Carlo (QMC) methods are one of the most important tools for studying interacting quantum many-body systems. The vast majority of QMC calculations in interacting fermion systems require a constraint to control the sign problem.…

Strongly Correlated Electrons · Physics 2016-12-08 Mingpu Qin , Hao Shi , Shiwei Zhang

The three key elements of a quantum simulation are state preparation, time evolution, and measurement. While the complexity scaling of time evolution and measurements are well known, many state preparation methods are strongly…

Quantum Physics · Physics 2022-03-24 Trevor Keen , Bo Peng , Karol Kowalski , Pavel Lougovski , Steven Johnston

We present an infinite Grassmann time-evolving matrix product operator method for quantum impurity problems, which directly works in the steady state. The method embraces the well-established infinite matrix product state algorithms with…

Strongly Correlated Electrons · Physics 2024-08-09 Chu Guo , Ruofan Chen

We study the impurity-induced phase transitions in a quasi-one-dimensional Heisenberg antiferromagnet doped with magnetic spin-1/2 impurities and non-magnetic ones. The impurity-induced transition temperature determined by the quantum Monte…

Strongly Correlated Electrons · Physics 2015-06-25 Munehisa Matsumoto , Hajime Takayama

We present clear numerical evidence for the coexistence of metallic and insulating dynamical mean field theory(DMFT) solutions in a half-filled single-band Hubbard model with bare semicircular density of states at finite temperatures.…

Strongly Correlated Electrons · Physics 2009-10-31 Jaewook Joo , Viktor Oudovenko

We present a generalization of the phaseless auxiliary-field quantum Monte Carlo (AFQMC) method to cavity quantum-electrodynamical (QED) matter systems. The method can be formulated in both the Coulomb and the dipole gauge. We verify its…

Chemical Physics · Physics 2025-03-04 Lukas Weber , Leonardo dos Anjos Cunha , Miguel A. Morales , Angel Rubio , Shiwei Zhang

Quantum Monte Carlo (QMC) methods represent a powerful family of computational techniques for tackling complex quantum many-body problems and performing calculations of stationary state properties. QMC is among the most accurate and…

Materials Science · Physics 2025-01-08 Alfonso Annarelli , Dario Alfè , Andrea Zen

The inchworm expansion is a promising approach to solving strongly correlated quantum impurity models due to its reduction of the sign problem in real and imaginary time. However, inchworm Monte Carlo is computationally expensive,…

Strongly Correlated Electrons · Physics 2024-11-21 Hugo U. R. Strand , Joseph Kleinhenz , Igor Krivenko

We present a new continuous time solver for quantum impurity models such as those relevant to dynamical mean field theory. It is based on a stochastic sampling of a perturbation expansion in the impurity-bath hybridization parameter.…

Strongly Correlated Electrons · Physics 2009-11-11 Philipp Werner , Armin Comanac , Luca De Medici , Matthias Troyer , Andrew J. Millis

State-of-the-art machine learning techniques promise to become a powerful tool in statistical mechanics via their capacity to distinguish different phases of matter in an automated way. Here we demonstrate that convolutional neural networks…

Strongly Correlated Electrons · Physics 2017-08-23 Peter Broecker , Juan Carrasquilla , Roger G. Melko , Simon Trebst

The tensor network algorithm, a family of prevalent numerical methods for quantum many-body problems, aptly captures the entanglement properties intrinsic to quantum systems, enabling precise representation of quantum states. However, its…

Strongly Correlated Electrons · Physics 2024-06-26 He-Yu Lin , Yibin Guo , Rong-Qiang He , Z. Y. Xie , Zhong-Yi Lu

Quantum Monte Carlo (QMC) methods are the gold standard for studying equilibrium properties of quantum many-body systems -- their phase transitions, ground and thermal state properties. However, in many interesting situations QMC methods…

Quantum Physics · Physics 2020-08-19 Dominik Hangleiter , Ingo Roth , Daniel Nagaj , Jens Eisert

Strongly correlated quantum impurity problems appear in a wide variety of contexts ranging from nanoscience and surface physics to material science and the theory of strongly correlated lattice models, where they appear as auxiliary systems…

Strongly Correlated Electrons · Physics 2013-02-19 Hartmut Hafermann , Philipp Werner , Emanuel Gull

We present a unified theory of the variational Monte Carlo (VMC) and determinant quantum Monte Carlo (DQMC) methods using a novel density matrix formulation of VMC. We introduce an efficient algorithm for VMC to compute correlation…

Strongly Correlated Electrons · Physics 2018-10-02 Mohammad-Sadegh Vaezi , Abolhassan Vaezi

The Grassmann time-evolving matrix product operator (GTEMPO) method has proven to be an accurate and efficient numerical method for the real-time dynamics of quantum impurity problems. Whereas its application for imaginary-time calculations…

Strongly Correlated Electrons · Physics 2024-10-10 Chu Guo , Ruofan Chen

Quantum computers theoretically promise computational advantage in many tasks, but it is much less clear how such advantage can be maintained when using existing and near-term hardware that has limitations in the number and quality of its…

Quantum Physics · Physics 2025-03-05 Stuart Ferguson , Petros Wallden

Quantum Monte Carlo (QMC) methods are powerful approaches for solving electronic structure problems. Although they often provide high-accuracy solutions, the precision of most QMC methods is ultimately limited by a trial wave function that…

Quantum Physics · Physics 2025-03-13 Nick S. Blunt , Laura Caune , Javiera Quiroz-Fernandez