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1. crystal-growth crystal-growth Public

   Comprehensive knowledge base on crystal growth physics, growth methods, numerical modeling, simulation, software, leading researchers, and references for crystal growth science and engineering.

   3

2. Werner-Hans-Joachim-bibliography Werner-Hans-Joachim-bibliography Public

   Year-by-year bibliography of theoretical chemist Hans-Joachim Werner’s publications (1976–2026), covering local correlation methods, explicitly correlated F12 theory, and the Molpro quantum chemist…

3. kohn-sham-atom kohn-sham-atom Public

   Solves nonlinear Kohn-Sham equation for the neutral atom

   C++ 2

4. matrix-matrix-multiply matrix-matrix-multiply Public

   Learn matrix-matrix multiplication optimization in C++ through progressively optimized DGEMM implementations, from naïve algorithms to AVX-512 and blocked kernels.

   C++ 25 2

5. Knowles-Peter-bibliography Knowles-Peter-bibliography Public

   Bibliography of works by computational chemist Professor Peter J. Knowles (Cardiff University), covering quantum chemistry, electron correlation, and Molpro-related publications.

6. Neese-Frank-bibliography Neese-Frank-bibliography Public

   Bibliography of Frank Neese’s quantum chemistry and spectroscopy publications, with a short biography and ORCA context