- ๐ญ I'm a computational chemist / materials scientist working towards my PhD...
- ๐ ... in lab COSMO at EPFL, Lausanne, Switzerland...
- ๐ก ... currently working on machine learning the real-space densities of electronic states in condensed matter...
- ๐ฑ ... whilst more broadly interested in building software for integrated ML models for electronic structure theory...
- ๐ซ ... and contactable at [email protected] or on X @jwasci !
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A proof-of-concept framework for torch-based learning of the electron density and related scalar fields
License: MIT License