Dataset Open Access
Martinetto, Vincent;
Shah, Karan;
Cangi, Attila;
Pribram-Jones, Aurora
This data repository contains the datasets used in the paper "Inverting the Kohn-Sham equations with physics-informed machine learning".
It contains the data generation scripts, datasets for the systems used in the paper (Single Well - 1D atom, Double Well - 1D diatomic molecule) and output potentials generated by the physics-informed machine learning models (physics-informed neural networks and Fourier neural operators).
Name | Size | |
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piml_ks_inversion.zip
md5:ec731fb92bb05c17a45b9d6bf2b1f530 |
155.1 MB | Download |
All versions | This version | |
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Views | 225 | 225 |
Downloads | 19 | 19 |
Data volume | 2.9 GB | 2.9 GB |
Unique views | 196 | 196 |
Unique downloads | 16 | 16 |