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Author

Weitao Yang

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2 papers indexed here

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Preprint Aug 2026

libNLPBE: An Open-Source Python Package for Solving the Non-Linear Poisson-Boltzmann Equation

Solvent environments surrounding a solute can significantly alter its chemical properties. These changes become more prominent in electrolyte solutions, where mobile ions largely influence the solute through electrostatic interactions. A theoretical description of these ionic effects will benefit the design of chemistr...

Jun-Hyeong Kim, Weitao Yang · 0 citations
Open access Aug 2026

The rocky path of DFT into chemistry-Discussions at a symposium and reflections on a circular journey in honor of Axel Becke 1953-2025.

We summarize a recent symposium on density functional theory for electronic structure in chemical applications and honor a key contributor, Axel Becke. The theory of electronic structure is entirely quantum mechanical and, in its original wave function form, runs into mathematical and numerical problems due to high spa...

S. Nordholm, E. Baerends, Kieron Burke et al. · 1 citation

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