Benedikt, U.; Schneider, W.; Auer, A. A.: Oxygen Reduktion Reaction On Pt-Nanoparticles: A Density-Functional Based Study II. Electrochemistry 2010: From Microscopic Understanding to Global Impact, Ruhr-Universität Bochum, Bochum, Germany (2010)
Schneider, W.; Auer, A. A.; Mehring, M.: Interactions of Main Group Elements and Aromatic Systems - A Theoretical Study. STC 2010 - Quantum Chemistry for Large and Complex Systems: From Theory to Algorithms and Applications, Münster, Germany (2010)
Schneider, W.; Benedikt, U.; Auer, A. A.: Oxygen Reduktion Reaction on Pt-Nanoparticles: A Density-Functional Based Study I. Electrochemistry 2010: From Microscopic Understanding to Global Impact, Ruhr-Universität Bochum, Bochum, Germany (2010)
Auer, A. A.: Grundlagen von Elektronenstrukturrechnungen. Lecture: Kompaktkurs "Grundlagen von Elektronenstrukturrechnungen", Institut für Chemie, TU Chemnitz, Germany, April 12, 2010 - July 23, 2010
Scientists of the Max-Planck-Institut für Eisenforschung pioneer new machine learning model for corrosion-resistant alloy design. Their results are now published in the journal Science Advances
Advanced microscopy and spectroscopy offer unique opportunities to study the structure, composition, and bonding state of individual atoms from within complex, engineering materials. Such information can be collected at a spatial resolution of as small as 0.1 nm with the help of aberration correction.
Complex simulation protocols combine distinctly different computer codes and have to run on heterogeneous computer architectures. To enable these complex simulation protocols, the CM department has developed pyiron.
Statistical significance in materials science is a challenge that has been trying to overcome by miniaturization. However, this process is still limited to 4-5 tests per parameter variance, i.e. Size, orientation, grain size, composition, etc. as the process of fabricating pillars and testing has to be done one by one. With this project, we aim to…
Atom probe tomography (APT) provides three dimensional(3D) chemical mapping of materials at sub nanometer spatial resolution. In this project, we develop machine-learning tools to facilitate the microstructure analysis of APT data sets in a well-controlled way.
Atom probe tomography (APT) is one of the MPIE’s key experiments for understanding the interplay of chemical composition in very complex microstructures down to the level of individual atoms. In APT, a needle-shaped specimen (tip diameter ≈100nm) is prepared from the material of interest and subjected to a high voltage. Additional voltage or laser…