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Imaginary time evolution is a powerful technique for computing the ground state of quantum Hamiltonians, where the convergence to ground state in asymptotic imaginary time is guaranteed. However, implementing this method on quantum…

Quantum Physics · Physics 2025-06-17 S. Alipour , T. Ojanen

We propose a nonvariational scheme for geometry optimization of molecules for the first-quantized eigensolver, a recently proposed framework for quantum chemistry using the probabilistic imaginary-time evolution (PITE) on a quantum…

Quantum Physics · Physics 2023-11-06 Taichi Kosugi , Hirofumi Nishi , Yuichiro Matsushita

We present efficient quantum algorithms for simulating time-dependent Hamiltonian evolution of general input states using an oracular model of a quantum computer. Our algorithms use either constant or adaptively chosen time steps and are…

Quantum Physics · Physics 2011-11-03 Nathan Wiebe , Dominic W. Berry , Peter Hoyer , Barry C. Sanders

The current generation of noisy intermediate scale quantum computers introduces new opportunities to study quantum many-body systems. In this paper, we show that quantum circuits can provide a dramatically more efficient representation than…

Quantum Physics · Physics 2021-03-24 Sheng-Hsuan Lin , Rohit Dilip , Andrew G. Green , Adam Smith , Frank Pollmann

Evolution in imaginary time is a prominent technique for finding the ground state of quantum many-body systems, and the heart of a number of numerical methods that have been used with great success in quantum chemistry, condensed matter and…

In this study, we propose a quantum-classical hybrid scheme for performing orbital-free density functional theory (OFDFT) using probabilistic imaginary-time evolution (PITE), designed for the era of fault-tolerant quantum computers (FTQC),…

Quantum Physics · Physics 2024-07-24 Yusuke Nishiya , Hirofumi Nishi , Taichi Kosugi , Yu-ichiro Matsushita

The imaginary-time evolution of quantum states is integral to various fields, ranging from natural sciences to classical optimization or machine learning. Since simulating quantum imaginary-time evolution generally requires storing an…

Quantum Physics · Physics 2024-01-17 Julien Gacon , Christa Zoufal , Giuseppe Carleo , Stefan Woerner

The Schwinger model serves as a benchmark for testing non-perturbative algorithms in quantum chromodynamics (QCD), emphasizing its similarities to QCD in strong coupling regimes, primarily due to the phenomena such as confinement and charge…

Quantum Physics · Physics 2024-09-23 Xiao-Wei Li , Fei Li , Jiapei Zhuang , Man-Hong Yung

Quantum computers offer the potential to simulate nuclear processes that are classically intractable. With the goal of understanding the necessary quantum resources to realize this potential, we employ state-of-the-art…

Quantum algorithms on the noisy intermediate-scale quantum (NISQ) devices are expected to simulate quantum systems that are classically intractable to demonstrate quantum advantages. However, the non-negligible gate error on the NISQ…

Quantum Physics · Physics 2021-12-06 Joseph C. Aulicino , Trevor Keen , Bo Peng

We propose a hybrid quantum-classical algorithm for solving QUBO problems using an Imaginary Time Evolution-Mimicking Circuit (ITEMC). The circuit parameters are optimized to closely mimic imaginary time evolution, using only single- and…

Quantum Physics · Physics 2025-06-19 Yahui Chai , Alice Di Tucci

Quantum computers open up new avenues for modelling the physical properties of materials and molecules. Density Functional Theory (DFT) is the gold standard classical algorithm for predicting these properties, but relies on approximations…

Quantum Physics · Physics 2024-02-29 Evan Sheridan , Lana Mineh , Raul A. Santos , Toby Cubitt

We introduce a hybrid classical-quantum algorithm for simulating a Hamiltonian of the form $H= \sum_{i=1}^K H_i = \sum_{i=1}^K H_{i_1} \otimes H_{i_2} \otimes \cdots \otimes H_{i_M}$. Given that the entries of all $\{ H_{i_1}, H_{i_2} ,…

Quantum Physics · Physics 2026-04-08 Nhat A. Nghiem , Tzu-Chieh Wei

Imaginary time evolution is a powerful tool applied in quantum physics, while existing classical algorithms for simulating imaginary time evolution suffer high computational complexity as the quantum systems become larger and more complex.…

Quantum Physics · Physics 2022-10-12 Hao-Nan Xie , Shi-Jie Wei , Fan Yang , Zheng-An Wang , Chi-Tong Chen , Heng Fan , Gui-Lu Long

In this paper, an algorithm for Quantum Inverse Fast Fourier Transform (QIFFT) is developed to work for quantum data. Analogous to a classical discrete signal, a quantum signal can be represented in Dirac notation, application of QIFFT is a…

Quantum Physics · Physics 2024-09-13 Mayank Roy , Devi Maheswaran

To date, all proposed quantum algorithms for simulating quantum field theory (QFT) simulate (continuous-time) Hamiltonian lattice QFT as a stepping stone. Two overlooked issues are how large we can take the timestep in these simulations…

Quantum Physics · Physics 2020-07-27 Terry Farrelly , Julien Streich

Imaginary-time evolution (ITE) on a quantum computer is a promising formalism for obtaining the ground state of a quantum system. As a kind of it, the probabilistic ITE (PITE) takes advantage of measurements to implement the nonunitary…

Quantum Physics · Physics 2022-08-15 Taichi Kosugi , Yusuke Nishiya , Hirofumi Nishi , Yu-ichiro Matsushita

A probabilistic imaginary-time evolution (PITE) method was proposed as a nonvariational method to obtain a ground state on a quantum computer. In this formalism, the success probability of obtaining all imaginary-time evolution operators…

Quantum Physics · Physics 2022-12-29 Hirofumi Nishi , Taichi Kosugi , Yusuke Nishiya , Yu-ichiro Matsushita

Digital quantum computers promise exponential speedups in performing quantum time-evolution, providing an opportunity to simulate quantum dynamics of complex systems in physics and chemistry. However, the task of extracting desired quantum…

Quantum Physics · Physics 2025-03-10 Chong Hian Chee , Daniel Leykam , Adrian M. Mak , Kishor Bharti , Dimitris G. Angelakis

Imaginary time evolution is a powerful tool for studying quantum systems. While it is possible to simulate with a classical computer, the time and memory requirements generally scale exponentially with the system size. Conversely, quantum…

Quantum Physics · Physics 2019-09-17 Sam McArdle , Tyson Jones , Suguru Endo , Ying Li , Simon Benjamin , Xiao Yuan