Neugebauer, J.: Application and Implementation of Electronic Structure Methods. Lecture: Ruhr-Universität Bochum, SS 2015, Bochum, Germany, April 01, 2015 - September 30, 2015
Neugebauer, J.: Application and Implementation of Electronic Structure Methods. Lecture: Ruhr-Universität Bochum, SS 2014, Bochum, Germany, April 01, 2014 - September 30, 2014
Neugebauer, J.: Application and Implementation of Electronic Structure Methods. Lecture: Ruhr-Universität Bochum, SS 2013 , Bochum, Germany, April 01, 2013 - September 30, 2013
Neugebauer, J.; Hickel, T.: Moderne Computersimulations-Methoden in der Festkörperphysik. Lecture: Hands-on-Tutorial, Ruhr-Universität Bochum, Bochum, Germany, September 20, 2010 - September 24, 2010
Neugebauer, J.; Hickel, T.: Computerpraktikum: Moderne Computersimulationsmethoden in der Festkörperphysik. Lecture: Blockpraktikum, MPIE, Düsseldorf, Germany, September 20, 2010 - September 24, 2010
Deißenbeck, F.: Development of an ab initio electrochemical cell: Understanding the dielectric properties of interfacial water and Mg dissolution from first principles. Dissertation, Philipps-Universität Marburg, Germany (2024)
Lochner, F.: Interplay of Real Space and Electronic Structure for Iron-Based Superconductors: An ab initio Study. Dissertation, Ruhr-Universität Bochum, Germany (2021)
Surendralal, S.: Development of an ab initio computational potentiostat and its application to the study of Mg corrosion. Dissertation, Ruhr Universität Bochum (2020)
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
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…
Ever since the discovery of electricity, chemical reactions occurring at the interface between a solid electrode and an aqueous solution have aroused great scientific interest, not least by the opportunity to influence and control the reactions by applying a voltage across the interface. Our current textbook knowledge is mostly based on mesoscopic…