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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 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…

There is a pressing need for more accurate computational simulations of the opto-electronic properties of defects in materials to aid in the development of quantum sensing platforms. In this work, we explore how quantum computers could be…

We present the first quantum-hardware implementation of a Hamiltonian simulation algorithm that produces signed vector-field solutions to the time-domain Maxwells equations using a Schrodingerisation-based approach. The electromagnetic…

Quantum Physics · Physics 2026-05-05 Gautam Sharma , Apurva Tiwari , Niladri Gomes , Jezer Jojo , J. Eric Bracken , Jay Pathak

We present a time-dependent quantum algorithm for nuclear inelastic scattering in the time-dependent basis function on qubits approach. This algorithm aims to quantum simulate a subset of the nuclear inelastic scattering problems that are…

Nuclear Theory · Physics 2021-07-28 Weijie Du , James P. Vary , Xingbo Zhao , Wei Zuo

We present a quantum algorithm for simulating the time evolution generated by any bounded, time-dependent operator $-A$ with non-positive logarithmic norm, thereby serving as a natural generalization of the Hamiltonian simulation problem.…

Quantum Physics · Physics 2025-09-15 Guang Hao Low , Rolando D. Somma

We present simulation results on the structure and dynamics of micromagnetic point singularities with atomistic resolution. This is achieved by embedding an atomistic computational region into a standard micromagnetic algorithm. Several…

Mesoscale and Nanoscale Physics · Physics 2014-04-09 Christian Andreas , Attila Kákay , Riccardo Hertel

We apply the framework of block-encodings, introduced by Low and Chuang (under the name standard-form), to the study of quantum machine learning algorithms and derive general results that are applicable to a variety of input models,…

Quantum Physics · Physics 2020-02-21 Shantanav Chakraborty , András Gilyén , Stacey Jeffery

Solving partial differential equations for extremely large-scale systems within a feasible computation time serves in accelerating engineering developments. Quantum computing algorithms, particularly the Hamiltonian simulations, present a…

Quantum Physics · Physics 2024-09-10 Yuki Sato , Ruho Kondo , Ikko Hamamura , Tamiya Onodera , Naoki Yamamoto

Modeling non-Hermitian Hamiltonians is increasingly important in classical and quantum domains, especially when studying open systems, $PT$ symmetry, and resonances. However, the quantum simulation of these models has been limited by the…

Quantum Physics · Physics 2025-02-20 Anastashia Jebraeilli , Michael R. Geller

In this work, we present a quantum algorithm for direct first-principles simulation of electron-nuclear dynamics on a first-quantized real-space grid. Our algorithm achieves best-in-class efficiency for block-encoding the…

Quantum Physics · Physics 2026-02-13 Matthew Pocrnic , Ignacio Loaiza , Juan Miguel Arrazola , Nathan Wiebe , Danial Motlagh

In this work we investigate methods to improve the efficiency and scalability of quantum algorithms for quantum chemistry applications. We propose a transformation of the electronic structure Hamiltonian in the second quantization framework…

Large-scale quantum devices provide insights beyond the reach of classical simulations. However, for a reliable and verifiable quantum simulation, the building blocks of the quantum device require exquisite benchmarking. This benchmarking…

Quantum Physics · Physics 2022-02-16 Agnes Valenti , Guliuxin Jin , Julian Léonard , Sebastian D. Huber , Eliska Greplova

We investigate the quantum algorithm of Babbush et al. (arXiv:2303.13012v3) for simulating coupled harmonic oscillators, which promises exponential speedups over classical methods. Focusing on linearly connected oscillator chains, we bridge…

Classical simulation of real-space quantum dynamics is challenging due to the exponential scaling of computational cost with system dimensions. Quantum computer offers the potential to simulate quantum dynamics with polynomial complexity;…

Quantum Physics · Physics 2021-10-13 Chee-Kong Lee , Chang-Yu Hsieh , Shengyu Zhang , Liang Shi

Quantum simulation algorithms often require numerous ancilla qubits and deep circuits, prohibitive for near-term hardware. We introduce a framework for simulating quantum channels using ensembles of low-depth circuits in place of many-qubit…

Quantum Physics · Physics 2024-08-01 Joseph Peetz , Scott E. Smart , Prineha Narang

Quantum simulation is a promising near term application for mesoscale quantum information processors, with the potential to solve computationally intractable problems at the scale of just a few dozen interacting quantum systems. Recent…

Quantum Physics · Physics 2014-08-14 David L. Hayes , Steven T. Flammia , Michael J. Biercuk

Quantum simulation provides a powerful route for exploring many-body phenomena beyond the capabilities of classical computation. Existing approaches typically proceed in the forward direction: a model Hamiltonian is specified, implemented…

Quantum computing has the potential to reduce the computational cost required for quantum dynamics simulations. However, existing quantum algorithms for coupled electron-nuclear dynamics simulation either require fault-tolerant devices, or…

Quantum Physics · Physics 2026-03-03 Jong-Kwon Ha , Ryan J. MacDonell

Quantum chemistry provides a target for quantum simulation of considerable scientific interest and industrial importance. The majority of algorithms to date have been based on a second-quantized representation of the electronic structure…

Quantum Physics · Physics 2013-12-17 Borzu Toloui , Peter J. Love