Publications

Xi Chen, Muammar El Khatib, Per Lindgren, Adam Willard, Andrew J. Medford, Andrew A. Peterson (2023). Atomistic learning in the electronically grand-canonical ensemble. npj Computational Materials.

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Marcus D Hanwell, Chris Harris, Alessandro Genova, Mojtaba Haghighatlari, Muammar El Khatib, Patrick Avery, Johannes Hachmann, Wibe Albert Jong (2020). Open Chemistry, JupyterLab, REST, and quantum chemistry. Int. J. Quantum Chem..

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Muammar El Khatib, Wibe De Jong (2020). ML4Chem : A Machine Learning Package for Chemistry and Materials Science. ArXiv.

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