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Related papers: Towards near-term quantum simulation of materials

200 papers

We present a quantum algorithm for simulating the dynamics of Hamiltonians that are not necessarily sparse. Our algorithm is based on the input model where the entries of the Hamiltonian are stored in a data structure in a quantum random…

Quantum Physics · Physics 2020-06-11 Chunhao Wang , Leonard Wossnig

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

Quantum algorithms are promising candidates for the enhancement of computational efficiency for a variety of computational tasks, allowing for the numerical study of physical systems intractable to classical computers. In the Noisy…

Quantum Physics · Physics 2021-05-13 Marco Majland , Nikolaj Thomas Zinner

Recent years have seen unprecedented advance in the design and control of quantum computers. Nonetheless, their applicability is still restricted and access remains expensive. Therefore, a substantial amount of quantum algorithms research…

Quantum Physics · Physics 2020-12-11 Thomas Grurl , Richard Kueng , Jürgen Fuß , Robert Wille

The construction of the Hamiltonian matrix \textbf{H} is an essential, yet computationally expensive step in \textit{ab-initio} device simulations based on density-functional theory (DFT). In homogeneous structures, the fact that a unit…

Disordered Systems and Neural Networks · Physics 2026-02-03 Chen Hao Xia , Manasa Kaniselvan , Marko Mladenoivić , Mathieu Luisier

We propose an iterative variational quantum algorithm to simulate the time evolution of arbitrary initial states within a given subspace. The algorithm compresses the Trotter circuit into a shorter-depth parameterized circuit, which is…

Quantum Physics · Physics 2026-02-24 Seung Park , Dongkeun Lee , Jeongho Bang , Hoon Ryu , Kyunghyun Baek

We introduce a quantum information theory-inspired method to improve the characterization of many-body Hamiltonians on near-term quantum devices. We design a new class of similarity transformations that, when applied as a preprocessing…

Quantum Physics · Physics 2024-07-24 Andi Gu , Hong-Ye Hu , Di Luo , Taylor L. Patti , Nicholas C. Rubin , Susanne F. Yelin

The utility of near-term quantum computers and simulators is likely to rely upon software-hardware co-design, with error-aware algorithms and protocols optimized for the platforms they are run on. Here, we show how knowledge of noise in a…

Quantum Physics · Physics 2024-09-04 Kushal Seetharam , Dries Sels , Eugene Demler

Simulating quantum dynamics is one of the central applications of quantum computing. For Hamiltonians written as a sum of many terms, deterministic Trotter--Suzuki product formulas can require applying a large number of term-wise evolutions…

Quantum Physics · Physics 2026-05-20 Pegah Mohammadipour , Xiantao Li

Discrete translational symmetry plays a fundamental role in condensed matter physics and lattice gauge theories, enabling the analysis of systems that would otherwise be intractable. Despite this, many open problems remain. Quantum…

Quantum Physics · Physics 2026-01-07 Joris Kattemölle , Guido Burkard

For quantum algorithms for problems in which the task is to compute an entire field of values, like e.g. computational fluid dynamics (CFD), it is often proposed amplitude encoding w.r.t. multiple qubits; however, the efforts implied by it…

Quantum Physics · Physics 2026-04-08 Hans A. Kösel , Roland Ewert , Jan W. Delfs

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…

The increasing depth of quantum circuits presents a major limitation for the execution of quantum algorithms, as the limited coherence time of physical qubits leads to noise that manifests as errors during computation. In this work, we…

Quantum Physics · Physics 2026-03-24 Spyros Tserkis , Muhammad Umer , Dimitris G. Angelakis

Simulations of quantum transport in coherent conductors have evolved into mature techniques that are used in fields of physics ranging from electrical engineering to quantum nanoelectronics and material science. The most efficient…

Mesoscale and Nanoscale Physics · Physics 2019-12-25 Mathieu Istas , Christoph Groth , Xavier Waintal

This paper presents a strategy for efficient quantum circuit design for density estimation. The strategy is based on a quantum-inspired algorithm for density estimation and a circuit optimisation routine based on memetic algorithms. The…

We present a general strategy for mapping fermionic systems to quantum hardware with square qubit connectivity which yields low-depth quantum circuits, counted in the number of native two-qubit fSIM gates. We achieve this by leveraging…

Quantum Physics · Physics 2024-05-01 Manuel G. Algaba , P. V. Sriluckshmy , Martin Leib , Fedor Šimkovic

The fundamental question of how to best simulate quantum systems using conventional computational resources lies at the forefront of condensed matter and quantum computation. It impacts both our understanding of quantum materials and our…

Strongly Correlated Electrons · Physics 2021-09-29 Juan Carrasquilla , Di Luo , Felipe Pérez , Ashley Milsted , Bryan K. Clark , Maksims Volkovs , Leandro Aolita

The difficulty of simulating quantum dynamics depends on the norm of the Hamiltonian. When the Hamiltonian varies with time, the simulation complexity should only depend on this quantity instantaneously. We develop quantum simulation…

Quantum Physics · Physics 2020-04-21 Dominic W. Berry , Andrew M. Childs , Yuan Su , Xin Wang , Nathan Wiebe

A cardinal obstacle to performing quantum-mechanical simulations of strongly-correlated matter is that, with the theoretical tools presently available, sufficiently-accurate computations are often too expensive to be ever feasible. Here we…

Strongly Correlated Electrons · Physics 2021-02-10 John Rogers , Tsung-Han Lee , Sahar Pakdel , Wenhu Xu , Vladimir Dobrosavljević , Yong-Xin Yao , Ove Christiansen , Nicola Lanatà

The Fermi-Hubbard model (FHM) is a simple yet rich model of strongly interacting electrons with complex dynamics and a variety of emerging quantum phases. These properties make it a compelling target for digital quantum simulation.…