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Imaginary-time evolution, an important technique in tensor network and quantum Monte Carlo algorithms on classical computers, has recently been adapted to quantum computing. In this study, we focus on probabilistic imaginary-time evolution…

Strongly Correlated Electrons · Physics 2025-11-27 Satoshi Ejima , Kazuhiro Seki , Benedikt Fauseweh , Seiji Yunoki

Simulating differential equations on classical computers becomes an intractable problem if the grid size is extremely large. Quantum computers are believed to achieve a possibly exponential speedup in the matrix operation. In this paper, we…

Quantum Physics · Physics 2025-03-18 Xinchi Huang , Hirofumi Nishi , Taichi Kosugi , Yoshifumi Kawada , Yu-ichiro Matsushita

The Schrodinger equation describes how quantum states evolve according to the Hamiltonian of the system. For physical systems, we have it that the Hamiltonian must be a Hermitian operator to ensure unitary dynamics. For anti-Hermitian…

Quantum Physics · Physics 2025-05-21 Swagat Kumar , Colin Michael Wilmott

Variational Quantum Imaginary Time Evolution (VQITE) is a leading technique for ground state preparation on quantum computers. A significant computational challenge of VQITE is the determination of the quantum geometric tensor. We show that…

Quantum Physics · Physics 2024-09-19 Aeishah Ameera Anuar , Francois Jamet , Fabio Gironella , Fedor Simkovic , Riccardo Rossi

We introduce a constructive method for mapping non-unitary dynamics to a weighted set of unitary operations. We utilize this construction to derive a new correspondence between real and imaginary time, which we term Imaginary Time Quantum…

Quantum Physics · Physics 2024-09-11 Jacob M. Leamer , Alicia B. Magann , Denys I. Bondar , Gerard McCaul

In this work, we investigate the capability of known quantum-computing algorithms for fault-tolerant quantum computing to simulate the laser-driven electron dynamics in small molecules such as lithium hydride. These computations are…

Quantum Physics · Physics 2022-05-24 Fabian Langkabel , Annika Bande

Imaginary-time evolution is fundamental for analyzing quantum many-body systems, yet classical simulation requires exponentially growing resources in both system size and evolution time. While quantum approaches reduce the system-size…

Quantum Physics · Physics 2025-12-12 Lei Zhang , Jizhe Lai , Xian Wu , Xin Wang

Imaginary-time evolution plays an important role in algorithms for computing ground-state and thermal equilibrium properties of quantum systems, but can be challenging to simulate on classical computers. Many quantum algorithms for…

Quantum Physics · Physics 2025-07-22 Annie Ray , Esha Swaroop , Ningping Cao , Michael Vasmer , Anirban Chowdhury

Quantum phase estimation (QPE) plays a pivotal role in many quantum algorithms, offering provable speedups in applications such as Shor's factoring algorithm. While fault-tolerant quantum algorithms for combinatorial and Hamiltonian…

Quantum Physics · Physics 2025-04-17 Nora Bauer , George Siopsis

We develop a resource efficient step-merged quantum imaginary time evolution approach (smQITE) to solve for the ground state of a Hamiltonian on quantum computers. This heuristic method features a fixed shallow quantum circuit depth along…

Computational Physics · Physics 2020-09-21 Niladri Gomes , Feng Zhang , Noah F. Berthusen , Cai-Zhuang Wang , Kai-Ming Ho , Peter P. Orth , Yongxin Yao

Dynamic quantum circuits combine mid-circuit measurement with classical feed-forward, enabling circuit constructions with reduced entangling-gate depth. Here, we investigate their use in Quantum Imaginary Time Evolution (QITE), where…

Quantum Physics · Physics 2026-03-06 Albert Lund , Erika Magnusson , Werner Dobrautz , Laura García-Álvarez

Various methods have been developed for the quantum computation of the ground and excited states of physical and chemical systems, but many of them require either large numbers of ancilla qubits or high-dimensional optimization. The quantum…

Quantum Physics · Physics 2019-12-16 Kübra Yeter-Aydeniz , Raphael C. Pooser , George Siopsis

Quantum phase estimation (QPE) is one of the core algorithms for quantum computing. It has been extensively studied and applied in a variety of quantum applications such as the Shor's factoring algorithm, quantum sampling algorithms and the…

The time evolution operator plays a crucial role in the precise computation of chemical experiments on quantum computers and holds immense promise for advancing the fields of physical and computer sciences, with applications spanning…

Efficiently preparing approximate ground-states of large, strongly correlated systems on quantum hardware is challenging and yet nature is innately adept at this. This has motivated the study of thermodynamically inspired approaches to…

In this paper we develop a quantum algorithm to realize finite temperature simulation on a quantum computer. As quantum computers use real-time evolution we did not use the imaginary time methods popular on classical algorithms. Instead, we…

Quantum Physics · Physics 2019-11-11 Raffaele Miceli , Michael McGuigan

We introduce the framework of model space into quantum imaginary time evolution (QITE) to enable stable estimation of ground and excited states using a quantum computer. Model-space QITE (MSQITE) propagates a model space to the exact one by…

Quantum Physics · Physics 2023-10-02 Takashi Tsuchimochi , Yoohee Ryo , Siu Chung Tsang , Seiichiro L. Ten-no

The imaginary-time evolution method is widely known to be efficient for obtaining the ground state in quantum many-body problems on a classical computer. A recently proposed quantum imaginary-time evolution method (QITE) faces problems of…

Quantum Physics · Physics 2021-06-04 Hirofumi Nishi , Taichi Kosugi , Yu-ichiro Matsushita

Imaginary-time evolution has been shown to be a promising framework for tackling combinatorial optimization problems on quantum hardware. In this work, we propose a classical quantum-inspired strategy for solving combinatorial optimization…

Quantum Physics · Physics 2025-12-05 Erik M. Åsgrim , Ahsan Javed Awan

The Hartree-Fock (HF) wave function, commonly used for approximating molecular ground states, becomes nonideal in open shell systems due to the inherent multi-configurational nature of the wave function, limiting accuracy in Quantum…

Chemical Physics · Physics 2026-02-23 Pawan Sharma Poudel , Kenji Sugisaki , Michal Hajdušek , Rodney Van Meter