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Simulating Hamiltonian dynamics is one of the most fundamental and significant tasks for characterising quantum materials. Recently, a series of quantum algorithms employing block-encoding of Hamiltonians have succeeded in providing…

Quantum Physics · Physics 2023-01-18 Kaoru Mizuta

Quantum simulation is a promising application of future quantum computers. Product formulas, or Trotterization, are the oldest and still remain an appealing method to simulate quantum systems. For an accurate product formula approximation,…

Quantum Physics · Physics 2024-11-04 Chi-Fang , Chen , Fernando G. S. L. Brandão

Constructing appropriate unitary matrix operators for new quantum algorithms and finding the minimum cost gate sequences for the implementation of these unitary operators is of fundamental importance in the field of quantum information and…

Quantum Physics · Physics 2013-02-26 Anmer Daskin , Sabre Kais

We consider simulating an $n$-qubit Hamiltonian with nearest-neighbor interactions evolving for time $t$ on a quantum computer. We show that this simulation has gate complexity $(nt)^{1+o(1)}$ using product formulas, a straightforward…

Quantum Physics · Physics 2019-12-19 Andrew M. Childs , Yuan Su

Simulating the quantum dynamics of molecules in the condensed phase represents a longstanding challenge in chemistry. Trapped-ion quantum systems may serve as a platform for the analog-quantum simulation of chemical dynamics that is beyond…

Simulation of fermionic Hamiltonians with gate-based quantum computers requires the selection of an encoding from fermionic operators to quantum gates, the most widely used being the Jordan-Wigner transform. Many alternative encodings…

Quantum Physics · Physics 2026-05-01 Michael Williams de la Bastida , Thomas M. Bickley , Peter V. Coveney

Accurately treating electron correlation in the wavefunction is a key challenge for both classical and quantum computational chemistry. Classical methods have been developed which explicitly account for this correlation by incorporating…

Quantum Physics · Physics 2020-06-22 Sam McArdle , David P. Tew

Quantum simulators with hundreds of qubits and engineerable Hamiltonians have the potential to explore quantum many-body models that are intractable for classical computers. However, learning the simulated Hamiltonian, a prerequisite for…

The direct compilation of algorithm-specific graph states in measurement-based quantum computation (MBQC) can lead to resource reductions in terms of circuit depth, entangling gates, and even the number of physical qubits. In this work, we…

We present a new approach to simulating Hamiltonian dynamics based on implementing linear combinations of unitary operations rather than products of unitary operations. The resulting algorithm has superior performance to existing simulation…

Quantum Physics · Physics 2018-08-02 Andrew M. Childs , Nathan Wiebe

Simulation of quantum chemistry is expected to be a principal application of quantum computing. In quantum simulation, a complicated Hamiltonian describing the dynamics of a quantum system is decomposed into its constituent terms, where the…

Quantum Physics · Physics 2020-03-04 Yingkai Ouyang , David R. White , Earl T. Campbell

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

Application of current and near-term quantum hardware to the electronic structure problem is highly limited by qubit counts, coherence times, and gate fidelities. To address these restrictions within the variational quantum eigensolver…

Quantum Physics · Physics 2020-11-24 Robert A. Lang , Ilya G. Ryabinkin , Artur F. Izmaylov

Parity-time ($PT$)-symmetric Hamiltonians exhibit non-unitary dynamical evolution while maintaining real spectra, and offer unique approaches to quantum sensing and entanglement generation. Here we present a method for simulating the…

Quantum Physics · Physics 2026-01-15 Maryam Abbasi , Koray Aydogan , Anthony W. Schlimgen , Kade Head-Marsden

We present a simple but general framework for constructing quantum circuits that implement the multiply-controlled unitary $\text{Select}(H) \equiv \sum_\ell |\ell\rangle\langle\ell|\otimes H_\ell$, where $H = \sum_\ell H_\ell$ is the…

Quantum Physics · Physics 2021-01-14 Kianna Wan

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

Despite the successes of machine learning methods in physical sciences, prediction of the Hamiltonian, and thus electronic properties, is still unsatisfactory. Here, based on graph neural network architecture, we present an extendable…

Materials Science · Physics 2023-01-12 Mao Su , Ji-Hui Yang , Hong-Jun Xiang , Xin-Gao Gong

Efficient simulation of many-body quantum systems is central to advances in physics, chemistry, and quantum computing, with a key question being whether the simulation cost scales polynomially with the system size. In this work, we analyze…

Quantum Physics · Physics 2026-03-31 Di Fang , Xiaoxu Wu , Avy Soffer

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 chemistry simulations that accurately predict the properties of materials are among the most highly anticipated applications of quantum computing. It is widely believed that simulations running on quantum computers will allow for…