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The Julia Programming Language
Optimizing Gaussian Basis Sets with Automatic Differentiation | Madureira | JuliaCon Global 2025
Optimizing Gaussian Basis Sets with Automatic Differentiation by Letícia Madureira PreTalx: https://pretalx.com/juliacon-2025/talk/BQNDZT/ In quantum chemistry, Gaussian basis sets are essential for approximating molecular wavefunctions, where a complete basis set represents an infinite set of functions approaching the exact solution of the ...
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