Edward Kim

Materials informatics researcher

I'm a researcher in materials informatics, with a focus in applied machine learning. Also, I am a strong believer in the open science movement and an advocate for science outreach organizations.

I'm an alumnus of the University of Guelph with a BSc in Nanoscience; currently, I'm working on my PhD in Materials Science at MIT in the Olivetti Group. When I'm not working, I enjoy martial arts (Taekwondo), taking long walks, and playing video games.


Germanene-like defects in amorphous germanium revealed by three-dimensional visualization of high-resolution pair-distribution functions

B. Tomberli, A. Rahemtulla, E. Kim, S. Roorda, and S. Kycia. Phys. Rev. B 92, 064204. 25 August 2015

The structural description of even the most basic monatomic amorphous materials is under considerable debate. In this work, an intuitive computational technique has been developed to construct three-dimensional statistical density maps to directly visualize local atomic structure of amorphous germanium (a-Ge), enabling the interpretation of recent state-of-the-art experiments and simulations. The continuous random network (CRN) model is compared to our experimental model refined through a Reverse Monte Carlo routine. In this refinement a-Ge has two dominant structures: a fourfold coordinated tetrahedron and a buckled threefold coordinated local structure similar to silicene and germanene. These structures account for 95.7% of the total atoms in a 5:2 ratio respectively. Our method shows well defined structural ordering in the second shell of a-Ge. This novel visualization tool enables the interpretation of complex disordered materials and reveals the bimodal structures of a-Ge.

Fabrication and Characterization of Thin Film Nickel Hydroxide Electrodes for Micropower Applications

Hamid Falahati, Edward Kim, and Dominik P. J. Barz. ACS Applied Materials & Interfaces 2015 7 (23), 12797-12808

The utilization of micropower sources is attractive in portable microfluidic devices where only low-power densities and energy contents are required. In this work, we report on the microfabrication of patterned α-Ni(OH)2 films on glass substrates which can be used for rechargeable microbatteries as well as for microcapacitors. A multilayer deposition technique is developed based on e-beam evaporation, ultraviolet lithography, and electroplating/electrodeposition which creates thin-film electrodes that are patterned with arrays of micropillars. The morphology and the structure of the patterned electrode films are characterized by employing field emission scanning electron microscopy. The chemical (elemental) composition is investigated by using X-ray diffraction and X-ray photoelectron spectroscopy. Finally, cyclic voltammetry, electrochemical impedance spectroscopy, and galvanostatic charge/discharge measurements are used to evaluate the electrochemical performance of the patterned thin film electrodes compared to patternless electrodes. We observe that patterning of the electrodes results in significantly improved stability and, thus, longer endurance while good electrochemical performance is maintained.

Multiple Scattering Debye-Waller Factors for Arsenate

E Kim et al 2013 J. Phys.: Conf. Ser. 430 012086 doi:10.1088/1742-6596/430/1/012086

Debye-Waller factors for the As-O-O triangular multiple scattering paths within the arsenate in Na2HAsO4.7H2O are evaluated in terms of magnitude ratio with respect to the Debye-Waller factor of the nearest neighbour As-O shell. The arsenates are studied under two different levels of distortion from an ideal tetrahedron, i.e. a relatively high distortion in the powder form and a nearly ideal tetrahedron in an aqueous solution at pH 14. The Debye-Waller factor ratio is found to be 2.0 and 1.9 for the powder and liquid sample, respectively, appearing to be insensitive to the distortion of the arsenate tetrahedron.

XAFS Study of Arsenical Nickel Hydroxide

N Chen et al 2013 J. Phys.: Conf. Ser. 430 012092 doi:10.1088/1742-6596/430/1/012092

To investigate the role played by nickel co-ions in contributing to the stability of arsenic, fluorescence XAFS measurements at both arsenic K-edge and nickel K-edge, respectively, on amorphous arsenical nickel hydroxide, crystalline arsenical nickel hydroxide, and annabergite reference compounds have been carried out. The XAFS results indicate that the arsenic-bearing nickel hydroxides have a well-defined arsenic local structure with multiple coordination shells, suggesting a compound formation mechanism instead of surface adsorption. The degradation of the arsenic local structure in the crystalline arsenical nickel hydroxide is observed. The XAFS of annabergites are compared to that of the arsenical nickel hydroxide and possible structural models are discussed.



Attobyte is a just-for-fun educational webapp written on the MEAN (Mongo, Express, Angular, Node) framework. Attobyte consists of short interactive text-based 'storybooks' which teach both scientific and programming concepts side by side. The level of content is quite introductory and appropriate for beginners.

Article Downloader

This module uses publisher APIs (and sometimes direct downloads) to programmatically retrieve large amounts of scientific journal articles for text mining. It's primarily built for CrossRef's and Elsevier's text mining APIs -- but support for other APIs is gradually being added.

Visualization in Amorphous Solids

This code package was written for an undergraduate thesis project at the University of Guelph. It's a Python library for visualizing clusters of atoms in amorphous solids. 3D plotting tools are used to visualize the average local atomic structure in non crystalline solids (e.g. silicon, germanium).

Science Frontend

Science Frontend is a web application written mainly in Python/Django. Scientific computations are run on the server-side, with the results displayed in the client. Currently, the main use case supported is for x-ray sample preparation (i.e. x-ray absorption cross section calculation based on chemical formulae).


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