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The accurate theoretical description of materials with strongly correlated electrons is a formidable challenge in condensed matter physics and computational chemistry. Dynamical Mean Field Theory (DMFT) is a successful approach that…

Quantum-mechanical simulations can offer atomic-level insights into chemical processes on surfaces. This understanding is crucial for the rational design of new solid catalysts as well as materials to store energy and mitigate greenhouse…

High-performance techniques to simulate quantum programs on classical hardware rely on exponentially large vectors to represent quantum states. When simulating quantum algorithms, the quantum states that occur are often sparse due to…

Quantum Physics · Physics 2021-05-05 Samuel Jaques , Thomas Häner

We experimentally demonstrate a virtual two-qubit gate and characterize it using quantum process tomography~(QPT). The virtual two-qubit gate decomposes an actual two-qubit gate into single-qubit unitary gates and projection gates in…

Gate-based universal quantum computation is formulated in terms of two types of operations: local single-qubit gates, which are typically easily implementable, and two-qubit entangling gates, whose faithful implementation remains one of the…

Quantum Physics · Physics 2023-10-18 Xiaoqin Gao , Paul Appel , Nicolai Friis , Martin Ringbauer , Marcus Huber

Quantum simulation of molecular electronic structure is one of the most promising applications of quantum computing. However, achieving chemically accurate predictions for strongly correlated systems requires quantum phase estimation (QPE)…

Quantum Physics · Physics 2026-03-31 Shota Kanasugi , Riki Toshio , Kazunori Maruyama , Hirotaka Oshima

We present QEst, a procedure to systematically generate approximations for quantum circuits to reduce their CNOT gate count. Our approach employs circuit partitioning for scalability with procedures to 1) reduce circuit length using…

Quantum Physics · Physics 2021-08-31 Tirthak Patel , Ed Younis , Costin Iancu , Wibe de Jong , Devesh Tiwari

We propose a quantum algorithm which uses the number of qubits in an optimal way and efficiently simulates a physical model with rich and complex dynamics described by the quantum sawtooth map. The numerical study of the effect of static…

Quantum Physics · Physics 2007-05-23 Giuliano Benenti , Giulio Casati , Simone Montangero , Dima L. Shepelyansky

We develop and demonstrate methods for simulating the scattering of particle wave packets in the interacting Thirring model on digital quantum computers, with hardware implementations on up to 80 qubits. We identify low-entanglement time…

This chapter presents controlled approximations of Kohn-Sham density functional theory (DFT) that enable very large scale simulations. The work is motivated by the study of defects in crystalline solids, though the ideas can be used in…

Materials Science · Physics 2021-12-14 Kaushik Bhattacharya , Vikram Gavini , Michael Ortiz , Mauricio Ponga , Phanish Suryanarayana

Deterministic quantum computation with one quantum bit (DQC1), or the one clean qubit model, [E. Knill and R. Laflamme, Phys. Rev. Lett. {\bf81}, 5672 (1998)] is a model of quantum computing where the input is the tensor product of a single…

Quantum Physics · Physics 2014-06-06 Tomoyuki Morimae , Takeshi Koshiba

The rapid scaling of superconducting quantum computers has highlighted the impact of device-level variability on overall circuit fidelity. In particular, fabrication-induced fluctuations in device parameters such as capacitance and…

Quantum Physics · Physics 2025-07-29 Tetsufumi Tanamoto , Hiroshi Fuketa , Toyofumi Ishikawa , Shiro Kawabata

Quantum circuits that are classically simulatable tell us when quantum computation becomes less powerful than or equivalent to classical computation. Such classically simulatable circuits are of importance because they illustrate what makes…

Quantum Physics · Physics 2022-01-26 Ryotaro Suzuki , Kosuke Mitarai , Keisuke Fujii

Quantum field theory (QFT) simulations are a potentially important application for noisy intermediate scale quantum (NISQ) computers. The ability of a quantum computer to emulate a QFT, therefore, constitutes a natural application-centric…

Dynamic quantum circuits (DQCs) incorporate mid-circuit measurements and gates conditioned on these measurement outcomes. DQCs can prepare certain long-range entangled states in constant depth, making them a promising route to preparing…

Quantum Physics · Physics 2024-10-14 Faisal Alam , Bryan K. Clark

Noise is both ubiquitous and generally deleterious in settings where precision is required. This is especially true in the quantum technology sector where system utility typically decays rapidly under its influence. Understanding the noise…

Kohn-Sham spin-density functional theory provides an efficient and accurate model to study electron-electron interaction effects in quantum dots, but its application to large systems is a challenge. An efficient algorithm for the…

Mesoscale and Nanoscale Physics · Physics 2007-05-23 Hong Jiang , Harold U. Baranger , Weitao Yang

We propose an end-to-end integrated strategy to produce highly accurate quantum chemistry (QC) synthetic datasets (energies and forces) aimed at deriving Foundation Machine Learning models for molecular simulation. Starting from Density…

A common requirement of quantum simulations and algorithms is the preparation of complex states through sequences of 2-qubit gates. For a generic quantum state, the number of gates grows exponentially with the number of qubits, becoming…

Quantum Physics · Physics 2024-07-08 Matan Ben Dov , David Shnaiderov , Adi Makmal , Emanuele G. Dalla Torre

We introduce AQCtensor, a novel algorithm to produce short-depth quantum circuits from Matrix Product States (MPS). Our approach is specifically tailored to the preparation of quantum states generated from the time evolution of quantum…

Quantum Physics · Physics 2025-06-23 Niall F. Robertson , Albert Akhriev , Jiri Vala , Sergiy Zhuk
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