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Title: GitHub - lcmd-epfl/SPAHM-RHO: Code to support the paper: K. R. Briling, Y. Calvino Alonso, A. Fabrizio, and C. Corminboeuf, “SPAHM(a,b): encoding the density information from guess Hamiltonian in quantum machine learning representations”, J. Chem. Theory Comput. 2024, 20, 1108−1117 · GitHub

Open Graph Title: GitHub - lcmd-epfl/SPAHM-RHO: Code to support the paper: K. R. Briling, Y. Calvino Alonso, A. Fabrizio, and C. Corminboeuf, “SPAHM(a,b): encoding the density information from guess Hamiltonian in quantum machine learning representations”, J. Chem. Theory Comput. 2024, 20, 1108−1117

X Title: GitHub - lcmd-epfl/SPAHM-RHO: Code to support the paper: K. R. Briling, Y. Calvino Alonso, A. Fabrizio, and C. Corminboeuf, “SPAHM(a,b): encoding the density information from guess Hamiltonian in quantum machine learning representations”, J. Chem. Theory Comput. 2024, 20, 1108−1117

Description: Code to support the paper: K. R. Briling, Y. Calvino Alonso, A. Fabrizio, and C. Corminboeuf, “SPAHM(a,b): encoding the density information from guess Hamiltonian in quantum machine learning representations”, J. Chem. Theory Comput. 2024, 20, 1108−1117 - lcmd-epfl/SPAHM-RHO

Open Graph Description: Code to support the paper: K. R. Briling, Y. Calvino Alonso, A. Fabrizio, and C. Corminboeuf, “SPAHM(a,b): encoding the density information from guess Hamiltonian in quantum machine learning repres...

X Description: Code to support the paper: K. R. Briling, Y. Calvino Alonso, A. Fabrizio, and C. Corminboeuf, “SPAHM(a,b): encoding the density information from guess Hamiltonian in quantum machine learning repres...

Opengraph URL: https://github.com/lcmd-epfl/SPAHM-RHO

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https://github.com/lcmd-epfl/SPAHM-RHO#spahmab
J. Chem. Theory Comput. 2024, 20, 1108−1117https://doi.org/10.1021/acs.jctc.3c01040
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LB guesshttps://doi.org/10.1007/s00214-019-2521-3
https://github.com/lcmd-epfl/SPAHM-RHO#compute-spahmb-representations
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