Publications
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X Author: Maciej Haranczyk
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. DOI
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). DOI
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). DOI
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. DOI