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physics.chem-ph2024
Multi-task learning for molecular electronic structure approaching coupled-cluster accuracy
Hao Tang, Brian Xiao, Wenhao He +6
Machine learning (ML) plays an important role in quantum chemistry, providing fast-to-evaluate predictive models for various properties of molecules. However, most existing ML mode…
cond-mat.supr-con2024★ 4 cited
Detecting Thermodynamic Phase Transition via Explainable Machine Learning of Photoemission Spectroscopy
Xu Chen, Yuanjie Sun, Eugen Hruska +5
Identifying thermodynamic signatures of electronic phases, such as superconductivity, is challenging in low-dimensional materials due to strong fluctuations and low probing volume.…