| Beryllium-Dimer: a Bond Based on Non-Dynamical Correlation M El Khatib, GL Bendazzoli, S Evangelisti, W Helal, T Leininger, L Tenti, ... The Journal of Physical Chemistry A, 2014 | 57 | 2014 |
| Behavior of the position–spread tensor in diatomic systems O Brea, M El Khatib, C Angeli, GL Bendazzoli, S Evangelisti, T Leininger Journal of Chemical Theory and Computation 9 (12), 5286-5295, 2013 | 24 | 2013 |
| Computing the Position-Spread tensor in the CAS-SCF formalism M El Khatib, T Leininger, GL Bendazzoli, S Evangelisti Chemical Physics Letters 591, 58-63, 2014 | 21 | 2014 |
| The total position-spread tensor: Spin partition M El Khatib, O Brea, E Fertitta, GL Bendazzoli, S Evangelisti, T Leininger The Journal of chemical physics 142 (9), 094113, 2015 | 20 | 2015 |
| Open Chemistry, JupyterLab, REST, and Quantum Chemistry MD Hanwell, C Harris, A Genova, M Haghighatlari, M El Khatib, P Avery, ... International Journal of Quantum Chemistry, e26472, 2020 | 14 | 2020 |
| Spin delocalization in hydrogen chains described with the spin-partitioned total position-spread tensor M El Khatib, O Brea, E Fertitta, GL Bendazzoli, S Evangelisti, T Leininger, ... Theoretical Chemistry Accounts 134 (3), 1-8, 2015 | 11 | 2015 |
| The spin-partitioned total-position spread tensor: An application to diatomic molecules O Brea, M El Khatib, GL Bendazzoli, S Evangelisti, T Leininger, C Angeli The Journal of Physical Chemistry A 120 (27), 5230-5238, 2016 | 10 | 2016 |
| The total Position Spread in mixed‐valence compounds: A study on the model system GL Bendazzoli, M El Khatib, S Evangelisti, T Leininger Journal of Computational Chemistry 35 (10), 802-808, 2014 | 10 | 2014 |
| The spin-partitioned total position-spread tensor: An application to Heisenberg spin chains E Fertitta, M El Khatib, GL Bendazzoli, B Paulus, S Evangelisti, ... The Journal of Chemical Physics 143 (24), 244308, 2015 | 7 | 2015 |
| ML4Chem: A Machine Learning Package for Chemistry and Materials Science M El Khatib, WA de Jong arXiv preprint arXiv:2003.13388, 2020 | 5 | 2020 |
| A theoretical study of closed polyacene structures M El Khatib, S Evangelisti, T Leininger, GL Bendazzoli Physical Chemistry Chemical Physics 14 (45), 15666-15676, 2012 | 5 | 2012 |
| Partly saturated polyacene structures: a theoretical study M El Khatib, S Evangelisti, T Leininger, GL Bendazzoli Journal of molecular modeling 20, 1-13, 2014 | 3 | 2014 |
| Reacción de Knoevenagel: Obtención de Ácido Cinámico M El Khatib, N Porta, A Prieto Universidad del Zulia, Departamento de Química, Maracaibo, Venezuela, 1-2, 2006 | 3 | 2006 |
| Feature Extraction Using Semi-Supervised Deep Learning. M El Khatib, W De Jong Bulletin of the American Physical Society 65, 2020 | | 2020 |
| ML4Chem: Machine Learning for Chemistry and Materials v0.0.1 W de Jong, M El Khatib Lawrence Berkeley National Lab.(LBNL), Berkeley, CA (United States), 2019 | | 2019 |
| Open chemistry: Democratizing web-based chemistry databases M Hanwell, C Harris, A Genova, M El Khatib, M Haghighatlari, ... ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 258, 2019 | | 2019 |
| Understanding charge partitioning in machine-learning simulations at charged interfaces X Chen, M El Khatib, A Peterson | | 2019 |
| ML4Chem: Machine Learning for Chemistry and Materials v0.0.1 M El Khatib https://github.com/muammar/ml4chem, 2019 | | 2019 |
| Amp: The Atomistic Machine-learning Package v0.6.1 A Khorshidi, Alireza, El Khatib, Muammar, & Peterson | | 2018 |
| Saddle Point Searches in Electrochemical Reactions P Lindgren, G Kastlunger, M El Khatib, AA Peterson 2017 AIChE Annual Meeting, 2017 | | 2017 |
Stefano EvangelistiLaboratoire de Chimie et Physique QuantiquesVerified email at univ-tlse3.fr
