Initial commit

README.md

@@ -0,0 +1,19 @@
+# Alchemical MLIP
+This repository contains the code to modify machine learning interatomic potentials (MLIPs) to enable continuous and differentiable alchemical transformations.
+The details of the method are described in the paper: [Interpolation and differentiation of alchemical degrees of freedom in machine learning interatomic potentials](https://arxiv.org/abs/2404.10746).
+
+> **Note:** The code is currently under final preparation and will be uploaded here shortly.
+> We anticipate having the code ready by the end of this week.
+> Please stay tuned for updates!
+
+## Citation
+```
+@misc{nam2024interpolation,
+    title={Interpolation and differentiation of alchemical degrees of freedom in machine learning interatomic potentials},
+    author={Juno Nam and Rafael G{\'o}mez-Bombarelli},
+    year={2024},
+    eprint={2404.10746},
+    archivePrefix={arXiv},
+    primaryClass={cond-mat.mtrl-sci}
+}
+```