Maciej Haranczyk

Publications

Viewing 4 of 4 publications

2017

Zimmermann, Nils E. R, Matthew K Horton, Anubhav Jain, and Maciej Haranczyk. "Assessing Local Structure Motifs Using Order Parameters for Motif Recognition, Interstitial Identification, and Diffusion Path Characterization." Frontiers in Materials 4 (2017).

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2018

Zimmermann, Nils E. R, Daniel C. Hannah Hannah, Ziqin Rong, Miao Liu, Gerbrand Ceder, Maciej Haranczyk, and Kristin A Persson. "Electrostatic Estimation of Intercalant Jump-Diffusion Barriers Using Finite-Size Ion Models." The Journal of Physical Chemistry Letters 9.3 (2018) 628–634.

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2016

Medasani, Bharat, Anthony C Gamst, Hong Ding, Wei Chen, Kristin A Persson, Mark D Asta, Andrew Canning, and Maciej Haranczyk. "Predicting defect behavior in B2 intermetallics by merging ab initio modeling and machine learning." npj Computational Materials 2.1 (2016).

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2015

Ding, Hong, Bharat Medasani, Wei Chen, Kristin A Persson, Maciej Haranczyk, and Mark D Asta. "PyDII: A python framework for computing equilibrium intrinsic point defect concentrations and extrinsic solute site preferences in intermetallic compounds." Computer Physics Communications 193 (2015) 118–123.

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