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Nicola Molinari
Nicola Molinari
Robert Bosch. Formerly @ Harvard, Imperial College London
Adresse e-mail validée de us.bosch.com - Page d'accueil
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Année
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
13672022
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
2562018
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
1072019
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
792019
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
712020
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
632019
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
592019
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
422019
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
332024
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
322021
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
322020
Mechanisms of reinforcement in polymer nanocomposites
N Molinari, AP Sutton, AA Mostofi
Physical Chemistry Chemical Physics 20 (35), 23085-23094, 2018
292018
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
292016
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
182019
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
142022
Nanoparticle organization controls their potency as universal glues for gels
N Molinari, S Angioletti-Uberti
Nano letters 18 (6), 3530-3537, 2018
142018
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
112024
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
102024
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
102023
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
102021
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