7 citations · 15 across the 9 of their papers we have counts for
4 papers · 1 filter
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…
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 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-…