Nils E. R. Zimmermann

Nils E. R. Zimmermann

About
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

	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 acces (gold).
	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's link.
	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.
	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.
	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).
	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).
	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).
	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. Open access (green). Publisher's link. German version: Transport in nanoporösen Materialien, einschließlich MOFs: über die Anwendbarkeit der Fickschen Gesetze, Angew. Chem. 127, 14788-14792, 2015. Publisher's link.
	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.
	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. Open access (green). Publisher's link.
	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. Open access (green). Publisher's link.
	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. Open access (green). Publisher's link.
	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. Open access (green). Publisher's link.
	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. Open access (green). Publisher's link.
	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. Open access (green). Publisher's link.
	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's link.
	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. Open access (green). Publisher's link.
	Tag cloud generated with Andreas Mueller's word_cloud python tool using the abstracts of all my research papers as input.