Torres, E.; Blumenau, A. T.; Biedermann, P. U.: Steric and Chain Length Effects in the (√(3) x √(3))R30°Structures of Alkanethiol Self-Assembled Monolayers on Au(111). ChemPhysChem 12, pp. 999 - 1009 (2011)
Zuo, J.; Torres, E.: Comparison of Adsorption of Mercaptopropyltrimethoxysilane on Amphiphilic TiO2 and Hydroxylated SiO2. Langmuir 26 (19), pp. 15161 - 15168 (2010)
Torres, E.; Blumenau, A. T.; Biedermann, P. U.: Mechanism for phase transitions and vacancy island formation in alkylthiol/Au(111)self-assembled monolayers based on adatom and vacancy-induced reconstructions. Physical Review B 79 (7), pp. 075440-1 - 075440-6 (2009)
Torres, E.; Biedermann, P. U.; Blumenau, A. T.: High density structures of ethyl-thiol SAM´s on Au(111): A DFT study. SurMat Seminar, Schloß Gnadenthal, Kleve, Germany (2008)
Torres, E.; Biedermann, P. U.; Blumenau, A. T.: The Role of Gold Adatoms in Self-Assembled Monolayers of Thiol on Au(111). 6th Congress of the International Society for Theoretical Chemical Physics, ISTCP-VI, University of British Columbia, Vancouver, Canada (2008)
Blumenau, A. T.; Biedermann, P. U.; Torres, E.: Modelling adhesion and delamination at oxide/polymer interfaces. Multiscale Material Modeling of Condensed Matter, MMM2007, St. Feliu de Guixols, Spain (2007)
Thissen, P.; Özcan, Ö.; Torres, E.; Diesing, D.; Grundmeier, G.: Combining Monte Carlo Kinetics and Density Functional Theory to simulate Temperature Programmed Desorption. American Vacuum Society 54th International Symposium, Seattle, WA, USA (2007)
Biedermann, P. U.; Torres, E.; Blumenau, A. T.: Oxygen Reduction at Thiol/Au(111)SAMs, Atomistic Modelling and Experiment. 212th ECS Meeting, Washington, D.C., USA (2007)
Biederrmann, U. P.; Torres, E.; Blumenau, A. T.: Degradation of Alkanethiol/Au(111) Self-Assembled Monolayers During Oxygen Reduction. 1. Harzer Ab initio Workshop, Clausthal-Zellerfeld, Germany (2006)
Torres, E.; Biederrmann, U. P.; Blumenau, A. T.: A DFT study of Alkanethiol adsorption sites on Au(111) surfaces. A DFT study of Alkanethiol adsorption sites on Au(111) surfaces, Clausthal, Germany (2006)
Torres, E.; Biedermann, P. U.; Blumenau, A. T.: A DFT study of Alkanethiol adsorption sites on Au(111) surfaces. 2nd IMPRS-SurMat Workshop in Surface and Interface Engineering in Advanced Materials, Ruhr-Universität Bochum, Bochum, Germany (2008)
Biedermann, P. U.; Torres, E.; Laaboudi, L.; Isik-Uppenkamp, S.; Rohwerder, M.; Blumenau, A. T.: Cathodic Delamination by a Combined Computational and Experimental Approach: The Aklylthiol/Gold Model System. Multiscale Material Modeling of Condensed Matter, MMM2007, St. Feliu de Guixols, Spain (2007)
Torres, E.: DFT Study of Alkanethiol Self-assembled Monolayers on Gold(111) Surfaces. Dissertation, Ruhr-Universität-Bochum, Fakultät für Physik und Astronomie, Bochum, Germany (2009)
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
Integrated Computational Materials Engineering (ICME) is one of the emerging hot topics in Computational Materials Simulation during the last years. It aims at the integration of simulation tools at different length scales and along the processing chain to predict and optimize final component properties.
Data-rich experiments such as scanning transmission electron microscopy (STEM) provide large amounts of multi-dimensional raw data that encodes, via correlations or hierarchical patterns, much of the underlying materials physics. With modern instrumentation, data generation tends to be faster than human analysis, and the full information content is…
The project’s goal is to synergize experimental phase transformations dynamics, observed via scanning transmission electron microscopy, with phase-field models that will enable us to learn the continuum description of complex material systems directly from experiment.
In order to prepare raw data from scanning transmission electron microscopy for analysis, pattern detection algorithms are developed that allow to identify automatically higher-order feature such as crystalline grains, lattice defects, etc. from atomically resolved measurements.