7 citations · 15 across the 9 of their papers we have counts for
3 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…
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…