| E (3)-equivariant graph neural networks for data-efficient and accurate interatomic potentials S Batzner, A Musaelian, L Sun, M Geiger, JP Mailoa, M Kornbluth, ... Nature communications 13 (1), 2453, 2022 | 1170 | 2022 |
| Effect of salt concentration on ion clustering and transport in polymer solid electrolytes: a molecular dynamics study of PEO–LiTFSI N Molinari, JP Mailoa, B Kozinsky Chemistry of Materials 30 (18), 6298-6306, 2018 | 247 | 2018 |
| General trend of a negative Li effective charge in ionic liquid electrolytes N Molinari, JP Mailoa, B Kozinsky The journal of physical chemistry letters 10 (10), 2313-2319, 2019 | 107 | 2019 |
| Transport anomalies emerging from strong correlation in ionic liquid electrolytes N Molinari, JP Mailoa, N Craig, J Christensen, B Kozinsky Journal of Power Sources 428, 27-36, 2019 | 79 | 2019 |
| Evolution of metastable structures at bimetallic surfaces from microscopy and machine-learning molecular dynamics JS Lim, J Vandermause, MA Van Spronsen, A Musaelian, Y Xie, L Sun, ... Journal of the American Chemical Society 142 (37), 15907-15916, 2020 | 68 | 2020 |
| A fast neural network approach for direct covariant forces prediction in complex multi-element extended systems JP Mailoa, M Kornbluth, S Batzner, G Samsonidze, ST Lam, ... Nature machine intelligence 1 (10), 471-479, 2019 | 57 | 2019 |
| Role of solvent-anion charge transfer in oxidative degradation of battery electrolytes ER Fadel, F Faglioni, G Samsonidze, N Molinari, BV Merinov, ... Nature communications 10 (1), 3360, 2019 | 55 | 2019 |
| Fundamental limits to the electrochemical impedance stability of dielectric elastomers in bioelectronics P Le Floch, N Molinari, K Nan, S Zhang, B Kozinsky, Z Suo, J Liu Nano letters 20 (1), 224-233, 2019 | 39 | 2019 |
| Chelation-induced reversal of negative cation transference number in ionic liquid electrolytes N Molinari, B Kozinsky The Journal of Physical Chemistry B 124 (13), 2676-2684, 2020 | 30 | 2020 |
| Molecular model for hnbr with tunable cross-link density N Molinari, M Khawaja, AP Sutton, AA Mostofi The Journal of Physical Chemistry B 120 (49), 12700-12707, 2016 | 30 | 2016 |
| Salt-in-ionic-liquid electrolytes: Ion network formation and negative effective charges of alkali metal cations M McEldrew, ZAH Goodwin, N Molinari, B Kozinsky, AA Kornyshev, ... The Journal of Physical Chemistry B 125 (50), 13752-13766, 2021 | 29 | 2021 |
| Mechanisms of reinforcement in polymer nanocomposites N Molinari, AP Sutton, AA Mostofi Physical Chemistry Chemical Physics 20 (35), 23085-23094, 2018 | 29 | 2018 |
| 3D spatiotemporally scalable in vivo neural probes based on fluorinated elastomers P Le Floch, S Zhao, R Liu, N Molinari, E Medina, H Shen, Z Wang, J Kim, ... Nature nanotechnology 19 (3), 319-329, 2024 | 20 | 2024 |
| Automated detection and characterization of surface restructuring events in bimetallic catalysts JS Lim, N Molinari, K Duanmu, P Sautet, B Kozinsky The Journal of Physical Chemistry C 123 (26), 16332-16344, 2019 | 16 | 2019 |
| Understanding relationships between free volume and oxygen absorption in ionic liquids MB Wenny, N Molinari, AH Slavney, S Thapa, B Lee, B Kozinsky, ... The Journal of Physical Chemistry B 126 (6), 1268-1274, 2022 | 14 | 2022 |
| Nanoparticle organization controls their potency as universal glues for gels N Molinari, S Angioletti-Uberti Nano letters 18 (6), 3530-3537, 2018 | 14 | 2018 |
| Uncertainty driven active learning of coarse grained free energy models BR Duschatko, J Vandermause, N Molinari, B Kozinsky npj Computational Materials 10 (1), 9, 2024 | 9 | 2024 |
| Spectral denoising for accelerated analysis of correlated ionic transport N Molinari, Y Xie, I Leifer, A Marcolongo, M Kornbluth, B Kozinsky Physical Review Letters 127 (2), 025901, 2021 | 8 | 2021 |
| Flexible fluid-based encapsulation platform for water-sensitive materials B Lemaire, Y Yu, N Molinari, H Wu, ZAH Goodwin, F Stricker, B Kozinsky, ... Proceedings of the National Academy of Sciences 120 (34), e2308804120, 2023 | 6 | 2023 |
| Transferability and accuracy of ionic liquid simulations with equivariant machine learning interatomic potentials ZAH Goodwin, MB Wenny, JH Yang, A Cepellotti, J Ding, K Bystrom, ... The Journal of Physical Chemistry Letters 15 (30), 7539-7547, 2024 | 4 | 2024 |
Boris KozinskyHarvard University, Bosch ResearchVerified email at seas.harvard.edu
