2 papers
physics.chem-ph2026
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…
physics.chem-ph2026
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…