Ab initio quantum simulation of strongly correlated materials with quantum embedding

C Cao, J Sun, X Yuan, HS Hu, HQ Pham… - npj Computational …, 2023 - nature.com
Quantum computing has shown great potential in various quantum chemical applications
such as drug discovery, material design, and catalyst optimization. Although significant …

Improved algorithms of quantum imaginary time evolution for ground and excited states of molecular systems

T Tsuchimochi, Y Ryo, SL Ten-No… - Journal of Chemical …, 2023 - ACS Publications
Quantum imaginary time evolution (QITE) is a recently proposed quantum-classical hybrid
algorithm that is guaranteed to reach the lowest state of systems. In this study, we present …

Towards efficient quantum computing for quantum chemistry: Reducing circuit complexity with transcorrelated and adaptive ansatz techniques

E Magnusson, A Fitzpatrick, S Knecht, M Rahm… - Faraday …, 2024 - pubs.rsc.org
The near-term utility of quantum computers is hindered by hardware constraints in the form
of noise. One path to achieving noise resilience in hybrid quantum algorithms is to decrease …

Halving the cost of quantum algorithms with randomization

JM Martyn, P Rall - arxiv preprint arxiv:2409.03744, 2024 - arxiv.org
Quantum signal processing (QSP) provides a systematic framework for implementing a
polynomial transformation of a linear operator, and unifies nearly all known quantum …

Probabilistic imaginary-time evolution algorithm based on nonunitary quantum circuits

HN **e, SJ Wei, F Yang, ZA Wang, CT Chen, H Fan… - Physical Review A, 2024 - APS
Imaginary-time evolution is a powerful tool in the study of quantum physics. However,
existing classical algorithms for simulating imaginary-time evolution suffer from high …

An efficient classical algorithm for simulating short time 2d quantum dynamics

Y Wu, Y Zhang, X Yuan - arxiv preprint arxiv:2409.04161, 2024 - arxiv.org
Efficient classical simulation of the Schrodinger equation is central to quantum mechanics,
as it is crucial for exploring complex natural phenomena and understanding the fundamental …

Quantum simulation approach to implementing nuclear density functional theory via imaginary time evolution

YH Li, J Al-Khalili, P Stevenson - Physical Review C, 2024 - APS
The quantum imaginary time evolution (QITE) algorithm is a direct implementation of the
classical imaginary time evolution algorithm on quantum computer. We implement the QITE …

Orbital expansion variational quantum eigensolver

Y Wu, Z Huang, J Sun, X Yuan… - Quantum Science and …, 2023 - iopscience.iop.org
Variational quantum eigensolver (VQE) has emerged as a promising method for
investigating ground state properties in quantum chemistry, materials science, and …

Multi-state quantum simulations via model-space quantum imaginary time evolution

T Tsuchimochi, Y Ryo, SC Tsang, SL Ten-no - npj Quantum Information, 2023 - nature.com
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 …

Complexity analysis of weakly noisy quantum states via quantum machine learning

Y Wu, B Wu, Y Song, X Yuan, JB Wang - arxiv preprint arxiv:2303.17813, 2023 - arxiv.org
Quantum computers capable of fault-tolerant operation are expected to provide provable
advantages over classical computational models. However, the question of whether …