Itai Leven
Affiliations: | 2018- | Chemistry | University of California, Berkeley, Berkeley, CA, United States |
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Publications
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| Witek J, Heindel JP, Guan X, et al. (2022) M-Chem: a Modular Software Package for Molecular Simulation that Spans Scientific Domains. Molecular Physics. 121 |
| Haghighatlari M, Li J, Guan X, et al. (2022) NewtonNet: a Newtonian message passing network for deep learning of interatomic potentials and forces. Digital Discovery. 1: 333-343 |
| Guan X, Das A, Stein CJ, et al. (2022) A benchmark dataset for Hydrogen Combustion. Scientific Data. 9: 215 |
| Hao H, Leven I, Head-Gordon T. (2022) Can electric fields drive chemistry for an aqueous microdroplet? Nature Communications. 13: 280 |
| Guan X, Leven I, Heidar-Zadeh F, et al. (2021) Protein C-GeM: A Coarse-Grained Electron Model for Fast and Accurate Protein Electrostatics Prediction. Journal of Chemical Information and Modeling |
| Havenith-Newen M, Adams EM, Head-Gordon T, et al. (2021) Proton Traffic Jam: Effect of Nanoconfinement and Acid Concentration on Proton Hopping Mechanism. Angewandte Chemie (International Ed. in English) |
| Leven I, Hao H, Tan S, et al. (2021) Recent Advances for Improving the Accuracy, Transferability, and Efficiency of Reactive Force Fields. Journal of Chemical Theory and Computation |
| Leven I, Hao H, Das AK, et al. (2020) A Reactive Force Field with Coarse-Grained Electrons for Liquid Water. The Journal of Physical Chemistry Letters. 9240-9247 |
| Tan S, Leven I, An D, et al. (2020) Stochastic Constrained Extended System Dynamics for Solving Charge Equilibration Models. Journal of Chemical Theory and Computation |
| Leven I, Head-Gordon T. (2019) C-GeM: Coarse-Grained Electron Model for Predicting the Electrostatic Potential in Molecules. The Journal of Physical Chemistry Letters. 6820-6826 |