2 papers
cond-mat.mtrl-sci2026
Comprehensive Molecular-level Understanding of MgO Hydration through Computational Chemistry
Taichi Inagaki, Miho Hatanaka
The hydration of magnesium oxide (MgO) to magnesium hydroxide (Mg(OH)) is a fundamental solid-surface chemical reaction with significant implications for materials science. Yet…
quant-ph2024
Quantum computing quantum Monte Carlo with hybrid tensor network for electronic structure calculations
Shu Kanno, Hajime Nakamura, Takao Kobayashi +4
Quantum computers have a potential for solving quantum chemistry problems with higher accuracy than classical computers. Quantum computing quantum Monte Carlo (QC-QMC) is a QMC wit…