English
Related papers

Related papers: Low Depth Quantum Simulation of Electronic Structu…

200 papers

This article proposes a formalism which unifies Hamiltonian simulation techniques from different fields. This formalism leads to a competitive method to construct the Hamiltonian simulation with a comprehensible, simple-to-implement circuit…

Quantum Physics · Physics 2025-01-22 Robin Ollive , Stephane Louise

We present a classically solvable model that leads to optimized low-depth quantum circuits leveraging separable pair approximations. The obtained circuits are well suited as a baseline circuit for emerging quantum hardware and can, in the…

Quantum Physics · Physics 2022-04-07 Jakob S. Kottmann , Alán Aspuru-Guzik

Complex quantum simulation workflows are often hindered by incompatible wavefunction representations adopted across different algorithmic frameworks. In particular, the mismatch between the first- and second-quantization formalisms prevents…

Quantum Physics · Physics 2026-05-01 Calvin Ku , Yu-Cheng Chen , Alice Hu , Min-Hsiu Hsieh

We propose a computational protocol for quantum simulations of Fermionic Hamiltonians on a quantum computer, enabling calculations which were previously not feasible with conventional encoding and ansatses of variational quantum…

Quantum Physics · Physics 2023-03-15 Benchen Huang , Nan Sheng , Marco Govoni , Giulia Galli

The study of out-of-equilibrium quantum many-body dynamics remains one of the most exciting research frontiers of physics, standing at the crossroads of our understanding of complex quantum phenomena and the realization of quantum…

Quantum Physics · Physics 2025-11-24 Matteo D'Anna , Yuxuan Zhang , Roeland Wiersema , Manuel S. Rudolph , Juan Carrasquilla

Learning the structure of the entanglement Hamiltonian (EH) is central to characterizing quantum many-body states in analog quantum simulation. We describe a protocol where spatial deformations of the many-body Hamiltonian, physically…

Due to the limitations of present-day quantum hardware, it is especially critical to design algorithms that make the best possible use of available resources. When simulating quantum many-body systems on a quantum computer, straightforward…

Quantum Physics · Physics 2021-04-07 Olivia Di Matteo , Anna McCoy , Peter Gysbers , Takayuki Miyagi , R. M. Woloshyn , Petr Navrátil

Simulating vibrational dynamics is essential for understanding molecular structure, unlocking useful applications such as vibrational spectroscopy for high-fidelity chemical detection. Quantum algorithms for vibrational dynamics are…

Recent progress in quantum computing is paving the way for the realization of early fault-tolerant quantum computers. To maximize the utility of these devices, it is important to develop quantum algorithms that match their capabilities and…

Quantum Physics · Physics 2023-10-02 Gumaro Rendon , Peter D. Johnson

The practical application of quantum technologies to chemical problems faces significant challenges, particularly in the treatment of realistic basis sets and the accurate inclusion of electron correlation effects. A direct approach to…

We present a method for total energy minimizations and molecular dynamics simulations based either on tight-binding or on Kohn-Sham hamiltonians. The method leads to an algorithm whose computational cost scales linearly with the system…

Condensed Matter · Physics 2009-10-22 Francesco Mauri , Giulia Galli

Building on the established methods for superconducting circuit quantization, we present a new theoretical framework for approximate numerical simulation of Josephson quantum circuits. Simulations based on this framework provide access to a…

Quantum Physics · Physics 2020-12-17 Andrew J. Kerman

Hamiltonian simulation is one of the most important problems in quantum computation, and quantum singular value transformation (QSVT) is an efficient way to simulate a general class of Hamiltonians. However, the QSVT circuit typically…

Quantum Physics · Physics 2023-05-15 Yulong Dong , K. Birgitta Whaley , Lin Lin

It is tacitly accepted that, for practical basis sets consisting of N functions, solution of the two-electron Coulomb problem in quantum mechanics requires storage of O(N^4) integrals in the small N limit. For localized functions, in the…

Chemical Physics · Physics 2015-06-24 Mark R. Pederson

Molecular dynamics simulations are indispensable for exploring the behavior of atoms and molecules. Grounded in quantum mechanical principles, quantum molecular dynamics provides high predictive power but its computational cost is dominated…

Chemical Physics · Physics 2025-09-10 Siu Wun Cheung , Youngsoo Choi , Jean-Luc Fattebert , Daniel Osei-Kuffuor

We describe a rapidly converging algorithm for solving the Kohn--Sham equations and equations of similar structure that appear frequently in calculations of the structure of inhomogeneous electronic many--body systems. The algorithm has its…

Materials Science · Physics 2009-10-31 J. Auer , E. Krotscheck

Simulations of quantum dynamics are a key application of near term quantum computing, but are hindered by the twin challenges of noise and small device scale, which limit the executable circuit depths and the number of qubits the algorithm…

Quantum Physics · Physics 2025-02-07 Vladyslav Bohun , Maxence Grandadam , Maciej Koch-Janusz

We introduce a framework for simulating hybrid oscillator-qubit quantum processors on qubit-only systems through position encoding. By encoding continuous-variable position and momentum wave functions into qubit amplitudes, our method…

Quantum Physics · Physics 2026-03-11 Xi Lu , Bojko N. Bakalov , Yuan Liu

Recently, a generalization of the standard optical multiport was proposed [Phys. Rev. A 93, 043845 (2016)]. These directionally unbiased multiports allow photons to reverse direction and exit backwards from the input port, providing a…

Quantum Physics · Physics 2017-04-12 David S. Simon , Casey A. Fitzpatrick , Shuto Osawa , Alexander V. Sergienko

Digital quantum simulators provide a diversified tool for solving the evolution of quantum systems with complicated Hamiltonians and hold great potential for a wide range of applications. Although much attention is paid to the unitary…