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Exact many-body quantum problems are known to be computationally hard due to the exponential scaling of the numerical resources required. Since the advent of the Density Matrix Renormalization Group, it became clear that a successful…

Quantum Physics · Physics 2012-05-21 Pietro Silvi

The numerical solution of the many-body problem of interacting electrons and ions is a key challenge in condensed matter physics, chemistry, and materials science. Traditional methods to solve the multi-component quantum Hamiltonian are…

Materials Science · Physics 2025-10-24 Lorenzo Monacelli , Antonio Siciliano , Nicola Marzari

The rigorous solution to the grating diffraction problem is a cornerstone step in many scientific fields and industrial applications ranging from the study of the fundamental properties of metasurfaces to the simulation of photolithography…

Computational Physics · Physics 2025-02-05 Evgeniy Levdik , Alexey A. Shcherbakov

Understanding the robustness of topological phases of matter in the presence of strong interactions, and synthesising novel strongly-correlated topological materials, lie among the most important and difficult challenges of modern…

Quantum Gases · Physics 2017-10-02 J. Jünemann , A. Piga , S. -J. Ran , M. Lewenstein , M. Rizzi , A. Bermudez

We present a quantum embedding methodology to resolve the Anderson impurity model in the context of dynamical mean-field theory, based on an extended exact diagonalization method. Our method provides a maximally localized quantum impurity…

Strongly Correlated Electrons · Physics 2021-02-19 Carla Lupo , François Jamet , Terence Tse , Ivan Rungger , Cedric Weber

Quantum algorithms reformulate computational problems as quantum evolutions in a large Hilbert space. Most quantum algorithms assume that the time-evolution is perfectly unitary and that the full Hilbert space is available. However, in…

Quantum Physics · Physics 2024-09-26 Marcel Niedermeier , Jose L. Lado , Christian Flindt

The matrix spectral and nuclear norms appear in enormous applications. The generalizations of these norms to higher-order tensors is becoming increasingly important but unfortunately they are NP-hard to compute or even approximate. Although…

Optimization and Control · Mathematics 2023-03-01 Simai He , Haodong Hu , Bo Jiang , Zhening Li

Computationally efficient and accurate quantum mechanical approximations to solve the many-electron Schr\"odinger equation are at the heart of computational materials science. In that respect the coupled cluster hierarchy of methods plays a…

Materials Science · Physics 2022-01-11 Tina N. Mihm , Tobias Schäfer , Sai Kumar Ramadugu , Andreas Grüneis , James J. Shepherd

This work is concerned with tree tensor network operators (TTNOs) for representing quantum Hamiltonians. We first establish a mathematical framework connecting tree topologies with state diagrams. Based on these, we devise an algorithm for…

Quantum Physics · Physics 2024-07-09 Richard M. Milbradt , Qunsheng Huang , Christian B. Mendl

Improving the understanding of strongly correlated quantum many body systems such as gases of interacting atoms or electrons is one of the most important challenges in modern condensed matter physics, materials research and chemistry.…

Quantum Physics · Physics 2015-12-18 C. Eichler , J. Mlynek , J. Butscher , P. Kurpiers , K. Hammerer , T. J. Osborne , A. Wallraff

Tensor networks establish an adaptable framework for the emulation of quantum circuits. By partitioning exponentially large registers and gates into smaller tensors, this unlocks fast transformations through tensor algebra, and grants fine…

Distributed, Parallel, and Cluster Computing · Computer Science 2026-04-13 Jakub Adamski , Oliver Thomson Brown

Hyperinvariant tensor networks (hyMERA) were introduced as a way to combine the successes of perfect tensor networks (HaPPY) and the multiscale entanglement renormalization ansatz (MERA) in simulations of the AdS/CFT correspondence.…

Quantum Physics · Physics 2023-11-14 Matthew Steinberg , Javier Prior

Moir\'e superlattices in twisted two-dimensional materials have generated tremendous excitement as a platform for achieving quantum properties on demand. However, the moir\'e pattern is highly sensitive to the interlayer atomic registry,…

Tensor networks are a powerful tool for many-body ground states with limited entanglement. These methods can nonetheless fail for certain time-dependent processes - such as quantum transport or quenches - where entanglement growth is linear…

Strongly Correlated Electrons · Physics 2020-05-20 Gabriela Wojtowicz , Justin E. Elenewski , Marek M. Rams , Michael Zwolak

Quantum computing holds promise for revolutionizing computational chemistry simulations, particularly in drug discovery. However, current quantum hardware is limited by noise and scale, necessitating bridging technologies. This study…

Quantum Physics · Physics 2025-04-16 Marek Kowalik , Ellen Michael , Peter Pogány , Phalgun Lolur

A quantum computer that stores information on two-state systems called quantum bits or qubits must be able to address and manipulate individual qubits, to effect coherent interactions between pairs of qubits, and to read out the value of…

Quantum Physics · Physics 2007-05-23 M. S. Shahriar , P. R. Hemmer , S. Lloyd , J. A. Bowers , A. E. Craig

Topological magnons give rise to possibilities for engineering novel spintronics devices with critical applications in quantum information and computation, due to its symmetry-protected robustness and low dissipation. However, to make…

A tensor network is a diagram that specifies a way to "multiply" a collection of tensors together to produce another tensor (or matrix). Many existing algorithms for tensor problems (such as tensor decomposition and tensor PCA), although…

Data Structures and Algorithms · Computer Science 2018-11-05 Ankur Moitra , Alexander S. Wein

Realistic physical systems are characterised by emergent interactions across multiple length and time scales, posing a significant challenge for predictive machine learning (ML) models. Most scientific ML models focus on a narrow range of…

Moir\'e transition metal dichalcogenide (TMD) materials provide an ideal playground for studying the combined interplay of strong interactions and band-topology over a range of electronic fillings. Here we investigate the panoply of…

Strongly Correlated Electrons · Physics 2024-11-22 Juan Felipe Mendez-Valderrama , Sunghoon Kim , Debanjan Chowdhury