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Quantum simulations of chemistry in first quantization offer important advantages over approaches in second quantization including faster convergence to the continuum limit and the opportunity for practical simulations outside the…

Quantum Physics · Physics 2021-12-02 Yuan Su , Dominic W. Berry , Nathan Wiebe , Nicholas Rubin , Ryan Babbush

Quantum computation of the energy of molecules and materials is one of the most promising applications of fault-tolerant quantum computers. Practical applications require development of quantum algorithms with reduced resource requirements.…

A primary objective of quantum computation is to efficiently simulate quantum physics. Scientifically and technologically important quantum Hamiltonians include those with spin-$s$, vibrational, photonic, and other bosonic degrees of…

Quantum Physics · Physics 2020-12-11 Nicolas P. D. Sawaya , Gian Giacomo Guerreschi , Adam Holmes

The simulation of quantum dynamics calls for quantum algorithms working in first quantized grid encodings. Here, we propose a variational quantum algorithm for performing quantum dynamics in first quantization. In addition to the usual…

Quantum simulation uses a well-known quantum system to predict the behavior of another quantum system. Certain limitations in this technique arise, however, when applied to specific problems, as we demonstrate with a theoretical and…

Quantum Physics · Physics 2009-11-13 Kenneth R. Brown , Robert J. Clark , Isaac L. Chuang

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

The mapping of fermionic states onto qubit states, as well as the mapping of fermionic Hamiltonian into quantum gates enables us to simulate electronic systems with a quantum computer. Benefiting the understanding of many-body systems in…

Quantum Physics · Physics 2018-10-12 Mark Steudtner , Stephanie Wehner

A binary mapping from Fock space of bosonic state to qubits is given. Based on the binary mapping, we construte an algorithm of qubitization of bosons with complexity O(log(N)). As an example, the algorithm of qubitization of bosons in…

Quantum Physics · Physics 2022-09-20 Xin-Yu Huang , Lang Yu , Xu Lu , Yin Yang , De-Sheng Li , Chun-Wang Wu , Wei Wu , Ping-Xing Chen

Quantum computing has the potential to significantly speed up complex computational tasks, and arguably the most promising application area for near-term quantum computers is the simulation of quantum mechanics. To make the most of our…

Quantum Physics · Physics 2019-12-10 Sean A. Fischer , Daniel Gunlycke

Dynamics of many-qubit systems, that may correspond to computational processing with quantum systems, can be efficiently and generally approximated by a sequence of two- and single-qubit gates. In practical applications, however, a quantum…

Quantum Physics · Physics 2018-12-06 Joonwoo Bae , Tanmay Singal

Simulating molecular systems on quantum computers requires efficient mappings from Fermionic operators to qubit operators. Traditional mappings such as Jordan-Wigner or Bravyi-Kitaev often produce high-weight Pauli terms, increasing circuit…

Quantum Physics · Physics 2025-11-13 James Brown , Tarini S Hardikar , Kenny Heitritter , Kanav Setia

The study of real time dynamics of nuclear systems is of great importance to provide theoretical predictions of cross sections relevant for both terrestrial experiments as well as applications in astrophysics. First principles simulations…

Quantum Physics · Physics 2025-11-10 Luca Spagnoli , Chiara Lissoni , Alessandro Roggero

We present two techniques that can greatly reduce the number of gates required to realize an energy measurement, with application to ground state preparation in quantum simulations. The first technique realizes that to prepare the ground…

Quantum Physics · Physics 2018-08-28 David Poulin , Alexei Kitaev , Damian S. Steiger , Matthew B. Hastings , Matthias Troyer

Using the quantum map formalism, we provide a framework to construct fuzzy and coarse grained quantum states of many-body systems that account for limitations in the resolution of real measurement devices probing them. The first set of maps…

Quantum Physics · Physics 2021-11-02 Carlos Pineda , David Davalos , Carlos Viviescas , Antonio Rosado

This paper addresses quantum circuit mapping for Noisy Intermediate-Scale Quantum (NISQ) computers. Since NISQ computers constraint two-qubit operations on limited couplings, an input circuit must be transformed into an equivalent output…

Quantum Physics · Physics 2019-10-21 Toshinari Itoko , Rudy Raymond , Takashi Imamichi , Atsushi Matsuo

Simulating many-body fermionic systems in conventional qubit-based quantum computers poses significant challenges due to the overheads associated with the encoding of fermionic statistics in qubits, leading to the proposal of native…

Quantum Physics · Physics 2025-12-15 Ahana Ghoshal , Carlos de Gois , Kiara Hansenne , Otfried Gühne , Hai-Chau Nguyen

The physical limitations of quantum hardware often require nearest-neighbor qubit structures, in which two-qubit gates are required to construct nearest-neighbor quantum circuits. However, two-qubit gates are considered a major cost of…

Quantum Physics · Physics 2022-08-31 Byeongyong Park , Doyeol Ahn

Solving atomic nuclei from first principles places enormous demands on computational resources, which grow exponentially with increasing number of particles and the size of the space they occupy. We present first quantum simulations based…

Unitary operations are the building blocks of quantum programs. Our task is to design effcient or optimal implementations of these unitary operations by employing the intrinsic physical resources of a given n-qubit system. The most common…

Quantum Physics · Physics 2007-05-23 Robert Zeier , Markus Grassl , Thomas Beth

Protein folding processes are a vital aspect of molecular biology that is hard to simulate with conventional computers. Quantum algorithms have been proven superior for certain problems and may help tackle this complex life science…

Quantum Physics · Physics 2024-09-11 Hanna Linn , Isak Brundin , Laura García-Álvarez , Göran Johansson
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