7 citations · 15 across the 9 of their papers we have counts for
9 papers
From sparse quantum-computing data to atomistic simulation with universal machine-learning interatomic potentials
Tuan Minh Do, Yuichiro Yoshida, Kenji Ishihara +1
We propose a framework for incorporating quantum-computing-based electronic-structure calculations into universal machine-learning interatomic potentials (uMLIPs). Rather than cons…
Quantum computing for accurate large-scale electronic-structure calculations: DFT-embedded, post-processed quantum-selected configuration interaction
Tuan Minh Do, Yuichiro Yoshida, Tomoya Shiota +1
We present a multilevel embedding framework for quantum chemistry calculations on a quantum computer. In our framework, a quantum algorithm treats the strongly correlated active sp…
Doubling the size of quantum selected configuration interaction based on seniority-zero space and its application to QC-QSCI-AFQMC
Yuichiro Yoshida, Takuma Murokoshi, Rika Nakagawa +6
We propose doubly occupied configuration interaction-quantum selected configuration interaction (DOCI-QSCI), which samples from the seniority-zero space. While the use of this spac…
Coupled cluster method tailored by quantum selected configuration interaction
Luca Erhart, Yuichiro Yoshida, Wataru Mizukami
We present the quantum-selected configuration interaction-tailored coupled-cluster (QSCI-TCC) method, a hybrid quantum-classical scheme that tailors coupled-cluster (CC) theory wit…
Auxiliary-field quantum Monte Carlo method with quantum selected configuration interaction
Yuichiro Yoshida, Luca Erhart, Takuma Murokoshi +5
We propose using the wave function generated by the quantum selected configuration interaction (QSCI) method as the trial wave function in phaseless auxiliary-field quantum Monte C…
Auxiliary-field quantum Monte Carlo method with seniority-zero trial wave function
Yuichiro Yoshida, Luca Erhart, Takuma Murokoshi +4
We present an approach that uses the doubly occupied configuration interaction (DOCI) wave function as the trial wave function in phaseless auxiliary-field quantum Monte Carlo (ph-…
Chebyshev Approximated Variational Coupled Cluster for Quantum Computing
Luca Erhart, Yuichiro Yoshida, Viktor Khinevich +1
We propose an approach to approximately implement the variational coupled cluster (VCC) theory on quantum computers, which struggles with exponential scaling of computational costs…
Ab initio extended Hubbard model of short polyenes for efficient quantum computing
Yuichiro Yoshida, Nayuta Takemori, Wataru Mizukami
We propose introducing an extended Hubbard Hamiltonian derived via the ab initio downfolding method, which was originally formulated for periodic materials, towards efficient quant…
Coupled cluster method tailored with quantum computing
Luca Erhart, Yuichiro Yoshida, Viktor Khinevich +1
Introducing an active space approximation is inevitable for the quantum computations of chemical systems. However, this approximation ignores the electron correlations related to n…