3 papers
cs.LG2026
QT-Net: Rethinking Evaluation of AI Models in Atomic Chemical Space
Pablo MartÃnez Crespo, Stefano Ribes, Martin Rahm +6
Atomic properties such as partial charges or multipoles encode chemically meaningful information that can inform downstream molecular property prediction, but their evaluation as m…
quant-ph2025
Generative flow-based warm start of the variational quantum eigensolver
Hang Zou, Martin Rahm, Anton Frisk Kockum +1
Hybrid quantum-classical algorithms like the variational quantum eigensolver (VQE) show promise for quantum simulations on near-term quantum devices, but are often limited by compl…
quant-ph2025
Multireference error mitigation for quantum computation of chemistry
Hang Zou, Erika Magnusson, Hampus Brunander +2
Quantum error mitigation (QEM) strategies are essential for improving the precision and reliability of quantum chemistry algorithms on noisy intermediate-scale quantum devices. Ref…