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Ab initio quantum simulation of strongly correlated materials with quantum embedding
Quantum computing has shown great potential in various quantum chemical applications
such as drug discovery, material design, and catalyst optimization. Although significant …
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 …
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
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 …
of noise. One path to achieving noise resilience in hybrid quantum algorithms is to decrease …
Halving the cost of quantum algorithms with randomization
Quantum signal processing (QSP) provides a systematic framework for implementing a
polynomial transformation of a linear operator, and unifies nearly all known quantum …
polynomial transformation of a linear operator, and unifies nearly all known quantum …
Probabilistic imaginary-time evolution algorithm based on nonunitary quantum circuits
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 …
existing classical algorithms for simulating imaginary-time evolution suffer from high …
An efficient classical algorithm for simulating short time 2d quantum dynamics
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 …
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
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 …
classical imaginary time evolution algorithm on quantum computer. We implement the QITE …
Orbital expansion variational quantum eigensolver
Variational quantum eigensolver (VQE) has emerged as a promising method for
investigating ground state properties in quantum chemistry, materials science, and …
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 …
enable stable estimation of ground and excited states using a quantum computer. Model …
Complexity analysis of weakly noisy quantum states via quantum machine learning
Quantum computers capable of fault-tolerant operation are expected to provide provable
advantages over classical computational models. However, the question of whether …
advantages over classical computational models. However, the question of whether …