Freysoldt, C.: Accurate thermodynamic properties from ab initio simulations. International Conference on Theoretical and High Performance Computational Chemistry 2015, Qingdao, China (2015)
Freysoldt, C.: Die S/PHI/nX-Klassenbibliothek - HPC-Programmierung für Physiker. Workshop "High-performance computing und datengetriebene Anwendungen in der MPG
, Ringberg, Germany (2014)
Freysoldt, C.; Neugebauer, J.: Point defects in supercells: Correction schemes for the dilute limit. Workshop on Ab-initio description of charged systems and solid/liquid
interfaces
, Santa Barbara, CA, USA (2014)
Freysoldt, C.; Pfanner, G.; Neugebauer, J.: Role of the defect creation strategy for modelling dangling bonds in a-Si:H. MRS Spring Meeting, San Francisco, CA, USA (2014)
Freysoldt, C.; Pfanner, G.; Neugebauer, J.: Defects in amorphous silicon from H insertion. Workshop "Spins as Functional Probes in Solar Energy Research", Berlin, Germany (2013)
Lips, K.; Fehr, M.; Schnegg, A.; Rech, B.; Astakhov, O.; Finger, F.; Pfanner, G.; Freysoldt, C.; Neugebauer, J.; Bittl, R.et al.; Teutloff, C.: The Staebler-Wronski Effect in a-Si:H Revisited with Advanced Electron Paramagnetic Resonance (EPR). MRS Spring Meeting, San Francisco, CA, USA (2012)
Pfanner, G.; Freysoldt, C.; Neugebauer, J.: The Dangling-bond Defect in Crystalline and Amorphous Silicon: Insights from Ab initio Calculations of EPR-parameters. MRS Spring Meeting, San Francisco, CA, USA (2012)
Pfanner, G.; Freysoldt, C.; Neugebauer, J.: The dangling-bond defect in amorphous silicon: Insights from ab initio calculations of EPR parameters. DPG Frühjahrstagung 2012, Berlin, Germany (2012)
Pfanner, G.; Freysoldt, C.; Neugebauer, J.: The dangling-bond defect in amorphous silicon: Insights from ab initio calculations of EPR parameters. 1st Austrian-German workshop on computational materials design, Kramsach, Austria (2012)
Freysoldt, C.: Charge corrections in supercells. Workshop on "Modern developments in the ab initio description of charged systems for semiconductors and electrochemistry, Ringberg, Germany (2012)
Lange, B.; Freysoldt, C.; Neugebauer, J.: Point-defect energetics from LDA, PBE, and HSE: Different functionals, different energetics? 1.st Austrian/German Workshop on Computational Materials Design, Kramsach, Tyrol, Austria (2012)
Freysoldt, C.; Pfanner, G.; Neugebauer, J.: The dangling-bond defect in amorphous silicon: Insights from theoretical calculations of the EPR parameters. Workshop on Advanced EPR for material and solar energy research, Berlin, Germany (2011)
Freysoldt, C.; Pfanner, G.; Neugebauer, J.: The Dangling-Bond Defect in Amorphous Silicon: Statistical Random Versus Kinetically Driven Defect Geometries. 24th International Conference on Amorphous and Nanocrystalline Semiconductors (ICANS 24), Nara, Japan (2011)
Fehr, M.; Schnegg, A.; Teutloff, C.; Bittl, R.; Astakhov, O.; Finger, F.; Pfanner, G.; Freysoldt, C.; Neugebauer, J.; Rech, B.et al.; Lips, K.: A Detailed Investigation of Native and Light-induced Defects in Hydrogenated Amorphous Silicon by Electron-spin Resonance. MRS Spring Meeting and Exhibit 2011, San Francisco, CA, USA (2011)
Pfanner, G.; Freysoldt, C.; Neugebauer, J.: EPR parameters of the dangling bond defect in crystalline and amorphous silion: A DFT-study. APS march meeting 2011, Dallas, TX, USA (2011)
International researcher team presents a novel microstructure design strategy for lean medium-manganese steels with optimized properties in the journal Science
The aim of this project is to develop novel nanostructured Fe-Co-Ti-X (X = Si, Ge, Sn) compositionally complex alloys (CCAs) with adjustable magnetic properties by tailoring microstructure and phase constituents through compositional and process tuning. The key aspect of this work is to build a fundamental understanding of the correlation between…
In this project, we aim to enhance the mechanical properties of an equiatomic CoCrNi medium-entropy alloy (MEA) by interstitial alloying. Carbon and nitrogen with varying contents have been added into the face-centred cubic structured CoCrNi MEA.
Hydrogen is a clean energy source as its combustion yields only water and heat. However, as hydrogen prefers to accumulate in the concentrated stress region of metallic materials, a few ppm Hydrogen can already cause the unexpected sudden brittle failure, the so-called “hydrogen embrittlement”. The difficulties in directly tracking hydrogen limits…
This project with the acronym GB-CORRELATE is supported by an Advanced Grant for Gerhard Dehm by the European Research Council (ERC) and started in August 2018. The project GB-CORRELATE explores the presence and consequences of grain boundary phase transitions (often termed “complexions” in literature) in pure and alloyed Cu and Al. If grain size…