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The exact evaluation of the molecular ground state in quantum chemistry requires an exponentially increasing computational cost. Quantum computation is a promising way to overcome the exponential problem using polynomial-time quantum…

Quantum Physics · Physics 2023-05-30 Changsu Cao , Jiaqi Hu , Wengang Zhang , Xusheng Xu , Dechin Chen , Fan Yu , Jun Li , Hanshi Hu , Dingshun Lv , Man-Hong Yung

We propose a universal set of single- and two-qubit quantum gates acting on a hybrid qubit formed by coupling a quantum dot spin qubit to a $\mathbb{Z}_{2m}$ parafermion qubit with arbitrary integer $m$. The special case $m=1$ reproduces…

Mesoscale and Nanoscale Physics · Physics 2024-06-03 Denis V. Kurlov , Melina Luethi , Anatoliy I. Lotkov , Katharina Laubscher , Jelena Klinovaja , Daniel Loss

Efficiently characterising quantum systems, verifying operations of quantum devices and validating underpinning physical models, are central challenges for the development of quantum technologies and for our continued understanding of…

We present quantum algorithms, for Hamiltonians of linear combinations of local unitary operators, for Hamiltonian matrix-vector products and for preconditioning with the inverse of shifted reduced Hamiltonian operator that contributes to…

Quantum Physics · Physics 2020-09-09 Zhiyong Zhang

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

The variational quantum eigensolver is one of the most promising approaches for performing chemistry simulations using noisy intermediate-scale quantum (NISQ) processors. The efficiency of this algorithm depends crucially on the ability to…

Quantum simulations of molecular systems on quantum computers often employ minimal basis sets of Gaussian orbitals. In comparison with more realistic basis sets, quantum simulations employing minimal basis sets require fewer qubits and…

Quantum Physics · Physics 2022-08-17 Stefano Barison , Davide Emilio Galli , Mario Motta

This paper introduces an innovative approach for representing Gaussian fermionic states, pivotal in quantum spin systems and fermionic models, within a range of alternative quantum bases. We focus on transitioning these states from the…

Quantum Physics · Physics 2024-06-24 Babak Tarighi , Reyhaneh Khasseh , M. A. Rajabpour

This paper introduces the Hamiltonian-Adaptive Ternary Tree (HATT) framework to compile optimized Fermion-to-qubit mapping for specific Fermionic Hamiltonians. In the simulation of Fermionic quantum systems, efficient Fermion-to-qubit…

Quantum Physics · Physics 2025-04-15 Yuhao Liu , Kevin Yao , Jonathan Hong , Julien Froustey , Ermal Rrapaj , Costin Iancu , Gushu Li , Yunong Shi

The most efficient known quantum circuits for preparing unitary coupled cluster states and applying Trotter steps of the arbitrary basis electronic structure Hamiltonian involve interleaved sequences of fermionic Gaussian circuits and Ising…

Quantum Physics · Physics 2021-09-13 Nicholas C. Rubin , Joonho Lee , Ryan Babbush

Rational functions are exceptionally powerful tools in scientific computing, yet their abilities to advance quantum algorithms remain largely untapped. In this paper, we introduce effective implementations of rational transformations of a…

Quantum Physics · Physics 2026-02-18 Yizhi Shen , Niel Van Buggenhout , Daan Camps , Katherine Klymko , Roel Van Beeumen

Quantum simulators offer the potential to utilize the quantum nature of a physical system to study another physical system. In contrast to conventional simulation, which experiences an exponential increase in computational complexity,…

Quantum Physics · Physics 2024-07-24 Xuliang Du , Yang Shen , Zipeng Wu , Bei Zeng , Sen Yang

We derive a rigorous, quantum mechanical map of fermionic creation and annihilation operators to continuous Cartesian variables that exactly reproduces the matrix structure of the many-fermion problem. We show how our scheme can be used to…

Chemical Physics · Physics 2018-03-20 Andrés Montoya-Castillo , Thomas E. Markland

Digital quantum simulation of fermionic systems is important in the context of chemistry and physics. Simulating fermionic models on general purpose quantum computers requires imposing a fermionic algebra on spins. The previously studied…

Quantum Physics · Physics 2016-09-21 James D. Whitfield , Vojtěch Havlíček , Matthias Troyer

Conventional methods of quantum simulation involve trade-offs that limit their applicability to specific contexts where their use is optimal. In particular, the interaction picture simulation has been found to provide substantial asymptotic…

Quantum Physics · Physics 2022-08-17 Abhishek Rajput , Alessandro Roggero , Nathan Wiebe

Development of quantum architectures during the last decade has inspired hybrid classical-quantum algorithms in physics and quantum chemistry that promise simulations of fermionic systems beyond the capability of modern classical computers,…

Quantum Physics · Physics 2023-01-03 Frank T. Cerasoli , Kyle Sherbert , Jagoda Sławińska , Marco Buongiorno Nardelli

Simulating quantum dynamics is one of the most important applications of quantum computers. Traditional approaches for quantum simulation involve preparing the full evolved state of the system and then measuring some physical quantity.…

Quantum Physics · Physics 2025-02-24 Rolando D. Somma , Robbie King , Robin Kothari , Thomas O'Brien , Ryan Babbush

Hamiltonian simulation is a domain where quantum computers have the potential to outperform their classical counterparts. One of the main challenges of such quantum algorithms is increasing the system size, which is necessary to achieve…

Quantum Physics · Physics 2025-02-07 Erenay Karacan , Yanbin Chen , Christian B. Mendl

We present a novel method for improving the quantum simulation of the ground state energy of molecules. We perform a pre-processing step classically, which reduces the dimensionality of the problem by generating a custom mapping which…

Quantum Physics · Physics 2023-03-03 Kaur Kristjuhan , Mark Nicholas Jones

Partial differential equations (PDEs) are central to computational electromagnetics (CEM) and photonic design, but classical solvers face high costs for large or complex structures. Quantum Hamiltonian simulation provides a framework to…

Quantum Physics · Physics 2025-10-07 Hiroyuki Tezuka , Yuki Sato