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Sponsored Design Multi-Agent AI Systems Using MCP and A2A: Engineer your own Pyt Design Multi-Agent AI Systems Using MCP and A2A: Engineer your own Pyt

Author

Xue-Cheng Shao

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3 papers indexed here

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Preprint Sep 2026

The quadratic density response function for non-interacting fermions at arbitrary temperature

We develop and implement the quadratic density response function of non-interacting fermions at arbitrary temperature, frequencies, and wave vectors. Starting from a Green's function formulation, we derive the quadratic response and demonstrate its equivalence to the result obtained from the Wigner equation. We further...

Pontus Svensson, J. Vorberger, Z. Moldabekov et al. · 0 citations
Preprint Oct 2026

Accurately Generalizing Deep-Learning Hamiltonian Methods to Plane-Wave Density Functional Theory

A projectability-guided construction of nonorthogonal AO Hamiltonians from a small, selected set of PW eigenstates and eigenvalues is proposed, which broadens the range of PW DFT calculations available for AO Hamiltonian learning and enables compact, accurate training targets for developing more widely applicable elect...

Chun-Tian Wu, Jia-Xiang Li, Qiang Xu et al. · 0 citations
Oct 2026

Stable and transferable exchange-correlation potentials via machine-learned density-independent mapping.

We present a machine-learning framework, density-independent mapping for exchange-correlation, for incorporating XC effects into density functional theory via a density-independent mapping from the external potential to the XC potential. By predicting the ground-state XC potential in a one-shot manner and holding it fi...

Min Chen, Yu Xie, M. Pavanello et al. · 0 citations

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