Year |
Citation |
Score |
2022 |
Witek J, Heindel JP, Guan X, Leven I, Hao H, Naullage P, LaCour A, Sami S, Menger MFSJ, Cofer-Shabica DV, Berquist E, Faraji S, Epifanovsky E, Head-Gordon T. M-Chem: a Modular Software Package for Molecular Simulation that Spans Scientific Domains. Molecular Physics. 121. PMID 37470065 DOI: 10.1080/00268976.2022.2129500 |
0.684 |
|
2022 |
Haghighatlari M, Li J, Guan X, Zhang O, Das A, Stein CJ, Heidar-Zadeh F, Liu M, Head-Gordon M, Bertels L, Hao H, Leven I, Head-Gordon T. NewtonNet: a Newtonian message passing network for deep learning of interatomic potentials and forces. Digital Discovery. 1: 333-343. PMID 35769203 DOI: 10.1039/d2dd00008c |
0.699 |
|
2022 |
Guan X, Das A, Stein CJ, Heidar-Zadeh F, Bertels L, Liu M, Haghighatlari M, Li J, Zhang O, Hao H, Leven I, Head-Gordon M, Head-Gordon T. A benchmark dataset for Hydrogen Combustion. Scientific Data. 9: 215. PMID 35581204 DOI: 10.1038/s41597-022-01330-5 |
0.687 |
|
2022 |
Hao H, Leven I, Head-Gordon T. Can electric fields drive chemistry for an aqueous microdroplet? Nature Communications. 13: 280. PMID 35022410 DOI: 10.1038/s41467-021-27941-x |
0.539 |
|
2021 |
Guan X, Leven I, Heidar-Zadeh F, Head-Gordon T. Protein C-GeM: A Coarse-Grained Electron Model for Fast and Accurate Protein Electrostatics Prediction. Journal of Chemical Information and Modeling. PMID 34490776 DOI: 10.1021/acs.jcim.1c00388 |
0.532 |
|
2021 |
Havenith-Newen M, Adams EM, Head-Gordon T, Hao H, Rüttermann M, Leven I, Wirtz H. Proton Traffic Jam: Effect of Nanoconfinement and Acid Concentration on Proton Hopping Mechanism. Angewandte Chemie (International Ed. in English). PMID 34402145 DOI: 10.1002/anie.202108766 |
0.511 |
|
2021 |
Leven I, Hao H, Tan S, Guan X, Penrod KA, Akbarian D, Evangelisti B, Hossain MJ, Islam MM, Koski JP, Moore S, Aktulga HM, van Duin ACT, Head-Gordon T. Recent Advances for Improving the Accuracy, Transferability, and Efficiency of Reactive Force Fields. Journal of Chemical Theory and Computation. PMID 33970642 DOI: 10.1021/acs.jctc.1c00118 |
0.614 |
|
2020 |
Leven I, Hao H, Das AK, Head-Gordon T. A Reactive Force Field with Coarse-Grained Electrons for Liquid Water. The Journal of Physical Chemistry Letters. 9240-9247. PMID 33073998 DOI: 10.1021/acs.jpclett.0c02516 |
0.716 |
|
2020 |
Tan S, Leven I, An D, Lin L, Head-Gordon T. Stochastic Constrained Extended System Dynamics for Solving Charge Equilibration Models. Journal of Chemical Theory and Computation. PMID 32956587 DOI: 10.1021/Acs.Jctc.0C00514 |
0.59 |
|
2019 |
Leven I, Head-Gordon T. C-GeM: Coarse-Grained Electron Model for Predicting the Electrostatic Potential in Molecules. The Journal of Physical Chemistry Letters. 6820-6826. PMID 31613629 DOI: 10.1021/Acs.Jpclett.9B02771 |
0.568 |
|
2019 |
Leven I, Head-Gordon T. Inertial extended-Lagrangian scheme for solving charge equilibration models. Physical Chemistry Chemical Physics : Pccp. 21: 18652-18659. PMID 31460521 DOI: 10.1039/C9Cp02979F |
0.576 |
|
2019 |
Das AK, Urban L, Leven I, Loipersberger M, Aldossary A, Head-Gordon M, Head-Gordon T. Development of an Advanced Force Field for Water using Variational Energy Decomposition Analysis. Journal of Chemical Theory and Computation. PMID 31408601 DOI: 10.1021/Acs.Jctc.9B00478 |
0.721 |
|
2017 |
Mandelli D, Leven I, Hod O, Urbakh M. Sliding friction of graphene/hexagonal -boron nitride heterojunctions: a route to robust superlubricity. Scientific Reports. 7: 10851. PMID 28883489 DOI: 10.1038/S41598-017-10522-8 |
0.315 |
|
2017 |
Maaravi T, Leven I, Azuri I, Kronik L, Hod O. Interlayer Potential for Homogeneous Graphene and Hexagonal Boron Nitride Systems: Reparametrization for Many-Body Dispersion Effects The Journal of Physical Chemistry C. 121: 22826-22835. DOI: 10.1021/Acs.Jpcc.7B07091 |
0.388 |
|
2016 |
Koren E, Leven I, Lörtscher E, Knoll A, Hod O, Duerig U. Coherent commensurate electronic states at the interface between misoriented graphene layers. Nature Nanotechnology. PMID 27271963 DOI: 10.1038/Nnano.2016.85 |
0.305 |
|
2016 |
Leven I, Maaravi T, Azuri I, Kronik L, Hod O. Inter-Layer Potential for Graphene/h-BN Heterostructures. Journal of Chemical Theory and Computation. PMID 27168429 DOI: 10.1021/Acs.Jctc.6B00147 |
0.373 |
|
2016 |
Oz I, Leven I, Itkin Y, Buchwalter A, Akulov K, Hod O. Nanotube Motion on Layered Materials: A Registry Perspective Journal of Physical Chemistry C. 120: 4466-4470. DOI: 10.1021/Acs.Jpcc.6B00651 |
0.327 |
|
2014 |
Leven I, Azuri I, Kronik L, Hod O. Inter-layer potential for hexagonal boron nitride. The Journal of Chemical Physics. 140: 104106. PMID 24628151 DOI: 10.1063/1.4867272 |
0.427 |
|
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