Maciej Haranczyk
Publications
Viewing 4 of 4 publications
2017
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2018
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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Predicting defect behavior in B2 intermetallics by merging ab initio modeling and machine learning." npj Computational Materials 2.1 (2016).
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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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