| Matminer: An open source toolkit for materials data mining L Ward, A Dunn, A Faghaninia, NER Zimmermann, S Bajaj, Q Wang, ... Computational Materials Science 152, 60-69, 2018 | 730 | 2018 |
| PyCDT: A Python toolkit for modeling point defects in semiconductors and insulators D Broberg, B Medasani, NER Zimmermann, G Yu, A Canning, ... Computer Physics Communications 226, 165-179, 2018 | 200 | 2018 |
| Nucleation of NaCl from aqueous solution: critical sizes, ion-attachment kinetics, and rates NER Zimmermann, B Vorselaars, D Quigley, B Peters Journal of the American Chemical Society 137 (41), 13352-13361, 2015 | 192 | 2015 |
| Path sampling calculation of methane diffusivity in natural gas hydrates from a water-vacancy assisted mechanism B Peters, NER Zimmermann, GT Beckham, JW Tester, BL Trout Journal of the American Chemical Society 130 (51), 17342-17350, 2008 | 143 | 2008 |
| Transport in nanoporous materials including mofs: The applicability of fick’s laws T Titze, A Lauerer, L Heinke, C Chmelik, NER Zimmermann, FJ Keil, ... Angewandte Chemie International Edition 54 (48), 14580-14583, 2015 | 110 | 2015 |
| Local structure order parameters and site fingerprints for quantification of coordination environment and crystal structure similarity NER Zimmermann, A Jain RSC Advances 10 (10), 6063-6081, 2020 | 92 | 2020 |
| NaCl nucleation from brine in seeded simulations: Sources of uncertainty in rate estimates NER Zimmermann, B Vorselaars, JR Espinosa, D Quigley, WR Smith, ... The Journal of Chemical Physics 148 (22), 222838, 2018 | 79 | 2018 |
| In-depth study of the influence of host-framework flexibility on the diffusion of small gas molecules in one-dimensional zeolitic pore systems NER Zimmermann, S Jakobtorweihen, E Beerdsen, B Smit, FJ Keil The Journal of Physical Chemistry C 111 (46), 17370-17381, 2007 | 78 | 2007 |
| Assessing local structure motifs using order parameters for motif recognition, interstitial identification, and diffusion path characterization NER Zimmermann, MK Horton, A Jain, M Haranczyk Frontiers in Materials 4, 34, 2017 | 77 | 2017 |
| History and Utility of Zeolite Framework-Type Discovery from a Data-Science Perspective NER Zimmermann, M Haranczyk Crystal Growth & Design 16 (6), 3043-3048, 2016 | 70 | 2016 |
| Benchmarking Coordination Number Prediction Algorithms on Inorganic Crystal Structures H Pan, AM Ganose, M Horton, M Aykol, KA Persson, NER Zimmermann, ... Inorganic chemistry 60 (3), 1590-1603, 2021 | 63 | 2021 |
| The Materials Project: Accelerating Materials Design Through Theory-Driven Data and Tools A Jain, J Montoya, S Dwaraknath, NER Zimmermann, J Dagdelen, ... Handbook of Materials Modeling: Methods: Theory and Modeling, 1-34, 2018 | 59 | 2018 |
| Surface Barriers of Hydrocarbon Transport Triggered by Ideal Zeolite Structures NER Zimmermann, SP Balaji, FJ Keil The Journal of Physical Chemistry C 116 (5), 3677-3683, 2012 | 51 | 2012 |
| On the effects of the external surface on the equilibrium transport in zeolite crystals NER Zimmermann, B Smit, FJ Keil The Journal of Physical Chemistry C 114 (1), 300-310, 2010 | 51 | 2010 |
| Transport into nanosheets: Diffusion equations put to test NER Zimmermann, TJ Zabel, FJ Keil The Journal of Physical Chemistry C 117 (14), 7384-7390, 2013 | 49 | 2013 |
| Predicting local transport coefficients at solid–gas interfaces NER Zimmermann, B Smit, FJ Keil The Journal of Physical Chemistry C 116 (35), 18878-18883, 2012 | 43 | 2012 |
| Electrostatic estimation of intercalant jump-diffusion barriers using finite-size ion models NER Zimmermann, DC Hannah, Z Rong, M Liu, G Ceder, M Haranczyk, ... The Journal of Physical Chemistry Letters 9 (3), 628-634, 2018 | 20 | 2018 |
| Adsorption and diffusion in zeolites: the pitfall of isotypic crystal structures NER Zimmermann, M Haranczyk, M Sharma, B Liu, B Smit, FJ Keil Molecular Simulation 37 (12), 986-989, 2011 | 18 | 2011 |
| High-throughput assessment of hypothetical zeolite materials for their synthesizeability and industrial deployability JL Salcedo Perez, M Haranczyk, NER Zimmermann Zeitschrift für Kristallographie - Crystalline Materials, 1-15, 2019 | 17 | 2019 |
| Predicting and rationalizing the Soret coefficient of binary Lennard-Jones mixtures in the liquid state NER Zimmermann, G Guevara-Carrion, J Vrabec, N Hansen | 8 | 2022 |
Anubhav JainLawrence Berkeley National LabVerified email at lbl.gov
