2 papers
physics.chem-ph2026
Measurement Reduction in Orbital-Optimized Variational Quantum Eigensolver via Orbital Compression
Yanxian Tao, Lingyun Wan, Jie Liu
The variational quantum eigensolver (VQE) has emerged as one of the leading quantum algorithms for solving electronic structure problems on near-term noisy intermediate-scale quant…
cond-mat.mtrl-sci2025
A combined statistical mechanical and ab initio approach to understanding H2O/CO2 co-adsorption in mmen-Mg2(dobpdc)
Jonathan R. Owens, Bojun Feng, Jie Liu +1
We study the effects of H2O on CO2 adsorption in an amine-appended variant of the metal-organic framework Mg2(dobpdc), which is known to exhibit chaining behavior that presents in…