Matminer: An open source toolkit for materials data mining von Ward, Logan, Dunn, Alexander, Faghaninia, Alireza, Zimmermann, Nils E.R., Bajaj, Saurabh, Wang, Qi, Montoya, Joseph, Chen, Jiming, Bystrom, Kyle, Dylla, Maxwell, Chard, Kyle, Asta, Mark, Persson, Kristin A., Snyder, G. Jeffrey, Foster, Ian, Jain, Anubhav

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Local structure order parameters and site fingerprints for quantification of coordination environment and crystal structure similarity von Zimmermann, Nils E. R., Jain, Anubhav

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Nucleation of NaCl from Aqueous Solution: Critical Sizes, Ion-Attachment Kinetics, and Rates von Zimmermann, Nils E. R, Vorselaars, Bart, Quigley, David, Peters, Baron

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Benchmarking Coordination Number Prediction Algorithms on Inorganic Crystal Structures von Pan, Hillary, Ganose, Alex M, Horton, Matthew, Aykol, Muratahan, Persson, Kristin A, Zimmermann, Nils E. R, Jain, Anubhav

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PyCDT: A Python toolkit for modeling point defects in semiconductors and insulators von Broberg, Danny, Medasani, Bharat, Zimmermann, Nils E.R., Yu, Guodong, Canning, Andrew, Haranczyk, Maciej, Asta, Mark, Hautier, Geoffroy

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NaCl nucleation from brine in seeded simulations: Sources of uncertainty in rate estimates von Zimmermann, Nils. E. R., Vorselaars, Bart, Espinosa, Jorge R., Quigley, David, Smith, William R., Sanz, Eduardo, Vega, Carlos, Peters, Baron

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History and Utility of Zeolite Framework-Type Discovery from a Data-Science Perspective von Zimmermann, Nils E. R, Haranczyk, Maciej

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Transport in Nanoporous Materials Including MOFs: The Applicability of Fick's Laws von Titze, Tobias, Lauerer, Alexander, Heinke, Lars, Chmelik, Christian, Zimmermann, Nils E. R., Keil, Frerich J., Ruthven, Douglas M., Kärger, Jörg

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Electrostatic Estimation of Intercalant Jump-Diffusion Barriers Using Finite-Size Ion Models von Zimmermann, Nils E. R, Hannah, Daniel C, Rong, Ziqin, Liu, Miao, Ceder, Gerbrand, Haranczyk, Maciej, Persson, Kristin A

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Predicting Local Transport Coefficients at Solid–Gas Interfaces von Zimmermann, Nils E. R, Smit, Berend, Keil, Frerich J

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Assessing Local Structure Motifs Using Order Parameters for Motif Recognition, Interstitial Identification, and Diffusion Path Characterization von Zimmermann, Nils E. R., Horton, Matthew K., Jain, Anubhav, Haranczyk, Maciej

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Transport into Nanosheets: Diffusion Equations Put to Test von Zimmermann, Nils E. R, Zabel, Timm J, Keil, Frerich J

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Path Sampling Calculation of Methane Diffusivity in Natural Gas Hydrates from a Water-Vacancy Assisted Mechanism von Peters, Baron, Zimmermann, Nils E. R, Beckham, Gregg T, Tester, Jefferson W, Trout, Bernhardt L

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Predicting and Rationalizing the Soret Coefficient of Binary Lennard‐Jones Mixtures in the Liquid State von Zimmermann, Nils E. R., Guevara‐Carrion, Gabriela, Vrabec, Jadran, Hansen, Niels

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Surface Barriers of Hydrocarbon Transport Triggered by Ideal Zeolite Structures von Zimmermann, Nils E. R, Balaji, Sayee P, Keil, Frerich J

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Transport into zeolite nanosheets: diffusion equations put to test von Zimmermann, Nils E.R., Zabel, Timm J., Keil, Frerich J.

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PyCDT: A Python toolkit for modeling point defects in semiconductors and insulators von Broberg, Danny

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