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arXiv AI By Yunhong Lou, Xihang Yue, Xinran Wei, Tianqi Deng, Linchao Zhu

A Fixed-Point Neural Operator for Size- and Functional-Transferable Hamiltonian Prediction

Read the original on arXiv AI →

arXiv:2606. 14498v1 Announce Type: cross Abstract: Predicting the Kohn-Sham Hamiltonian with machine learning can accelerate density functional theory while retaining access to molecular orbitals, energy levels, and electronic-structure observables that energy-only surrogates cannot resolve.

Machine-generated by The Flow from the publisher's headline and feed description — not written or checked by a human. The full article lives at arXiv AI.

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