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Nils E. R. Zimmermann
Nils E. R. Zimmermann
University of Stuttgart
Verified email at tuhh.de - Homepage
Title
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Cited by
Year
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
6072018
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
1902018
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
1842015
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
1402008
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
1042015
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
782020
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
782007
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
752018
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
742017
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
602016
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
562021
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
512010
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
502018
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
492013
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
472012
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
432012
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
202018
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
182011
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
162019
Predicting and rationalizing the Soret coefficient of binary Lennard-Jones mixtures in the liquid state
NER Zimmermann, G Guevara-Carrion, J Vrabec, N Hansen
62022
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