Nils E. R. Zimmermann

Nils E. R. Zimmermann

About
Presently, I am a stay-at-home dad. Generally, I am a researcher who is active at the interface between physical chemistry, materials science, and engineering. My expertise lies in combining theory, computation, and visualization to help improve our understanding of physicochemical processes on the nanoscale (e.g., molecule diffusion and ion intercalation in host materials) and to help improve predictions of scientifically and/or technologically important, but challenging, properties (e.g., solute precipitate nucleation rates). I have more than 10 years of active research experience, where I have worked with many diverse research groups in various countries. I am actively supporting key scientific principles such as open access (OA) publishing by writing blogs and by advocating for these principles among my fellow researchers. Furthermore, I am engaged in mechanisms to foster diversity and inclusion in academia, for example, by assuming a leadership role in our postdoc union at Lawrence Berkeley National Laboratory.

Academic Trajectory

Contact
Lawrence Berkeley National Laboratory
Energy Technology Area
Hacking Materials Group
1 Cyclotron Road, MS 62-0203
Berkeley, CA 94720
USA
Phone: +1 805 708 5799
E-mail: nils.e.r.zimmermann@gmail.com

Online
GitHub, Google Scholar, LinkedIn, Loop, ORCID, ResearchGate, Twitter, Wikipedia

Tag cloud generated with Andreas Mueller's word_cloud python tool using the abstracts of all my research papers as input.

	Local structure order parameters and site fingerprints for quantification of coordination environment and crystal structure similarity Nils. E. R. Zimmermann and Anubhav Jain submitted, 2019. Preprint. Cited by 1.
	High-throughput assessment of hypothetical zeolite materials for their synthesizeability and industrial deployability Jose L. Salcedo Perez, Maciej Haranczyk, and Nils. E. R. Zimmermann Z. Kristallogr., 234, 437-450, 2019. Publisher link. Preprint. Invited as part of Special Issue on "Modelling Crystalline Microporous Materials". Cited by 3.
	The Materials Project: Accelerating materials design through theory-driven data and tools Anubhav Jain, Joseph Montoya, Shyam Dwaraknath, Nils E. R. Zimmermann, John Dagdelen, Matthew Horton, Patrick Huck, Donny Winston, Shreyas Cholia, Shyue Ping Ong, and Kristin Persson Handbook of Materials Modeling. Volume 1 Methods: Theory and Modeling, (Eds: W. Andreoni, S. Yip), Springer, 2018. Publisher link. Open access (green). Cited by 4.
	NaCl Nucleation from Brine in Seeded Simulations: Sources of Uncertainty in Rate Estimates Nils. E. R. Zimmermann, Bart Vorselaars, Jorge R. Espinosa, David Quigley, William R. Smith, Eduardo Sanz, Carlos Vega, and Baron Peters J. Chem. Phys., 148, 222838, 2018. Open access (gold). Invited as part of Special Topic on Ions in Water. Cited by 20.
	Matminer: An Open Source Toolkit for Materials Data Mining Logan Ward, Alexander Dunn, Alireza Faghaninia, Nils E. R. Zimmermann, Saurabh Bajaj, Qi Wang, Joseph Montoya, Jiming Chen, Kyle Bystrom, Maxwell Dylla, Kyle Chard, Mark Asta, Kristin A. Persson, G. Jeffrey Snyder, Ian Foster, and Anubhav Jain Comput. Mater. Sci., 152, 60-69, 2018. Publisher link. Open access (green). Cited by 56.
	PyCDT: A Python Toolkit for Modeling Point Defects in Semiconductors and Insulators Danny Broberg, Bharat Medasani, Nils E. R. Zimmermann, Andrew Canning, Maciej Haranczyk, Mark Asta, and Geoffroy Hautier Comput. Phys. Commun., 226, 165-179, 2018. Open access (gold). Preprint. Cited by 42.
	Electrostatic Estimation of Intercalant Jump-Diffusion Barriers Using Finite-Size Ion Models Nils E. R. Zimmermann, Daniel C. Hannah, Ziqin Rong, Miao Liu, Gerbrand Ceder, Maciej Haranczyk, and Kristin A. Persson J. Phys. Chem. Lett, 9, 628-634, 2018. Open access (gold). Preprint. Cited by 6.
	Assessing Local Structure Motifs Using Order Parameters for Motif Recognition, Interstitial Identification, and Diffusion Path Characterization Nils E. R. Zimmermann, Matthew K. Horton, Anubhav Jain, and Maciej Haranczyk Front. Mater., 4, 34, 2017. Open access (gold). Cited by 24.
	History and Utility of Zeolite Framework-Type Discovery from a Data-Science Perspective Nils E. R. Zimmermann and Maciej Haranczyk Cryst. Growth Des., 16, 3043-3048, 2016. Video. Open access (gold). Cited by 17.
	Nucleation of NaCl from Aqueous Solution: Critical Sizes, Ion-Attachment Kinetics, and Rates Nils E. R. Zimmermann, Bart Vorselaars, David Quigley, and Baron Peters J. Am. Chem. Soc., 137, 13352-13361, 2015. Video. Open access (gold). Cited by 83.
	Transport in Nanoporous Materials Including MOFs: The Applicability of Fick’s Laws Tobias Titze, Alexander Lauerer, Lars Heinke, Christian Chmelik, Nils E. R. Zimmermann, Frerich J. Keil, Douglas M. Ruthven, and Jörg Kärger Angew. Chem. Int. Ed., 54, 14580-14583, 2015. Publisher link. Open access (green). Cited by 44.
	Transport in nanoporösen Materialien, einschließlich MOFs: über die Anwendbarkeit der Fickschen Gesetze Tobias Titze, Alexander Lauerer, Lars Heinke, Christian Chmelik, Nils E. R. Zimmermann, Frerich J. Keil, Douglas M. Ruthven, and Jörg Kärger Angew. Chem., 127, 14788-14792, 2015. Publisher link. Cited by 5.
	Transport at Gas–Zeolite Interfaces Probed by Molecular Simulations Nils E. R. Zimmermann Dissertation, Hamburg University of Technology, 2013. Open access (gold). Cover artwork by Ronny Lischinsky. Cited by 5.
	Transport into Nanosheets: Diffusion Equations Put to Test Nils E. R. Zimmermann, Timm J. Zabel, and Frerich J. Keil J. Phys. Chem. C, 117, 7384-7390, 2013. Video. Publisher link. Open access (green). Cited by 24.
	Predicting Local Transport Coefficients at Solid-Gas Interfaces Nils E. R. Zimmermann, Berend Smit, and Frerich J. Keil J. Phys. Chem. C, 116, 18878-18883, 2012. Video. Publisher link. Open access (green). Cited by 24.
	Surface Barriers of Hydrocarbon Transport Triggered by Ideal Zeolite Structures Nils E. R. Zimmermann, Sayee P. Balaji, and Frerich J. Keil J. Phys. Chem. C, 116, 3677-3683, 2012. Video. Publisher link. Open access (green). Cited by 26.
	Adsorption and Diffusion in Zeolites: The Pitfall of Isotypic Crystal Structures Nils E. R. Zimmermann, Maciej Haranczyk, Manju Sharma, Bei Liu, Berend Smit, and Frerich J. Keil Mol. Simul., 37, 986-989, 2011. Publisher link. Open access (green). Cited by 14.
	Addition/Correction: In-Depth Study of the Influence of Host-Framework Flexibility on the Diffusion of Small Gas Molecules in One-Dimensional Zeolitic Pore Systems Nils E. R. Zimmermann, Sven Jakobtorweihen, Edith Beerdsen, Berend Smit, and Frerich J. Keil J. Phys. Chem. C, 114, 15546-15546, 2010. Publisher link. Open access (green). Cited by 1.
	On the Effects of the External Surface on the Equilibrium Transport in Zeolite Crystals Nils E. R. Zimmermann, Berend Smit, and Frerich J. Keil J. Phys. Chem. C, 114, 300-310, 2010. Publisher link. Open access (green). Cited by 34.
	Path Sampling Calculation of Methane Diffusivity in Natural Gas Hydrates from a Water-Vacancy Assisted Mechanism Baron Peters, Nils E. R. Zimmermann, Gregg T. Beckham, Jefferson W. Tester, and Bernhardt L. Trout J. Am. Chem. Soc., 130, 17342-17350, 2008. Video. Publisher link. Cited by 101.
	In-Depth Study of the Influence of Host-Framework Flexibility on the Diffusion of Small Gas Molecules in One-Dimensional Zeolitic Pore Systems Nils E. R. Zimmermann, Sven Jakobtorweihen, Edith Beerdsen, Berend Smit, and Frerich J. Keil J. Phys. Chem. C, 111, 17370-17381, 2007. Publisher link. Open access (green). Cited by 59.