Data Science Based Mg Corrosion Engineering

Quantifying the Role of Transition Metal Electrodeposition in the Cathodic Activation of Corroding Magnesium

(2018) E. Michailidou et al.   JOURNAL OF THE ELECTROCHEMICAL SOCIETY

Role of Segregated Iron at Grain Boundaries on Mg Corrosion

(2018) Dimitri Mercier et al.   JOURNAL OF THE ELECTROCHEMICAL SOCIETY

Machine learning for the structure–energy–property landscapes of molecular crystals

(2018) Félix Musil et al.   Chemical Science

Performance boost for primary magnesium cells using iron complexing agents as electrolyte additives

(2018) Daniel Höche et al.   Scientific Reports

Corrosion inhibition of pure Mg containing a high level of iron impurity in pH neutral NaCl solution

(2018) Junjie Yang et al.   CORROSION SCIENCE

Mapping and classifying molecules from a high-throughput structural database

(2017) Sandip De et al.   Journal of Cheminformatics

Cu redistribution study during the corrosion of AZ91 using a rotating ring-disk collection experiment

(2016) Jichao Li et al.   CORROSION SCIENCE

A new concept for corrosion inhibition of magnesium: Suppression of iron re-deposition

(2016) S.V. Lamaka et al.   ELECTROCHEMISTRY COMMUNICATIONS

The effect of iron re-deposition on the corrosion of impurity-containing magnesium

(2016) Daniel Höche et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Comparing molecules and solids across structural and alchemical space

(2016) Sandip De et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Inhibitor encapsulated, self-healable and cytocompatible chitosan multilayer coating on biodegradable Mg alloy: a pH-responsive design

(2016) Zhaojun Jia et al.   Journal of Materials Chemistry B

Automatic GROMACS Topology Generation and Comparisons of Force Fields for Solvation Free Energy Calculations

(2014) Magnus Lundborg et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Simulation of Corrosion Product Deposit Layer Growth on Bare Magnesium Galvanically Coupled to Aluminum

(2014) Daniel Höche   JOURNAL OF THE ELECTROCHEMICAL SOCIETY

On representing chemical environments

(2013) Albert P. Bartók et al.   PHYSICAL REVIEW B

Simplifying the representation of complex free-energy landscapes using sketch-map

(2011) Michele Ceriotti et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Magnesium as a biodegradable and bioabsorbable material for medical implants

(2009) Harpreet S. Brar et al.   JOM

Smooth potential energy surface for cavitation, dispersion, and repulsion free energies in polarizable continuum model

(2009) Yali Wang et al.   JOURNAL OF CHEMICAL PHYSICS