Publikationen von J. Neugebauer
Alle Typen
Konferenzbeitrag (22)
341.
Konferenzbeitrag
105, S. 22 - 50 (2011)
Advancing DFT to finite temperatures: Methods and applications in steel design. PSI-k Newsletter 342.
Konferenzbeitrag
248 (5), S. 1067 - 1076 (2011)
Electrostatic interactions between charged defects in supercells. CECAM Workshop, Lausanne, Switzerland, 08. Juni 2009 - 10. Juni 2009. Physica Status Solidi B 343.
Konferenzbeitrag
A flexible, plane-wave-based formulation of continuum elasticity and multiband k.p models. 11th Intern. Conference on Numerical Simulation of Optoelectronic Devices, Rome, Italy, 05. September 2011 - 08. September 2011., (2011)
344.
Konferenzbeitrag
326, S. 012016-1 - 012016-5 (2011)
Strain-induced effects on the electronic structure and N K-edge ELNES of wurtzite AlN and AlxGa1-xN. 17th International Conference on Microscopy of Semiconducting Materials 2011, University of Cambridge, UK, 04. April 2011 - 07. April 2011. Journal of Physics Conference Series 345.
Konferenzbeitrag
690, S. 202 - 205 (2011)
The relation between shear banding, microstructure and mechanical properties in Mg and Mg–Y alloys. 5th International Conference on Light Metals Technology V, Lüneburg, Germany, 19. Juli 2011 - 22. Juli 2011. Materials Science Forum 346.
Konferenzbeitrag
Ab initio determined materials-design limits in ultra light-weight Mg-Li alloys. (2009)
347.
Konferenzbeitrag
1128, S. 59 - 64. Symposium on Advanced Intermetallic-Based Alloys for Extreme Environment and Energy Applications held at the 2008 MRS Fall Meeting, Boston, MA, USA, 01. Dezember 2008 - 05. Dezember 2008. (2009)
Ab Initio Study of Elastic Properties in Fe3Al-Based Alloys. In: 2008 Materials Research Society Symposium Proceedings, Bd. 348.
Konferenzbeitrag
Theory-guided design of Ti-based binaries for human implants. Second Workshop on Theory meets Industry, Erwin-Schrödinger-Institute (ESI), Vienna, Austria, 12. Juni 2007 - 14. Juni 2007. Journal of Physics-Condensed Matter (6), 064221, (2008)
349.
Konferenzbeitrag
Determination of symmetry reduced structures using a soft phonon analysis for magnetic shape memory alloys. Second Workshop on Theory meets Industry, Erwin-Schrödinger-Institute (ESI), Vienna, Austria, 12. Juni 2007 - 14. Juni 2007. Journal of Physics-Condensed Matter (6), 064219, (2008)
350.
Konferenzbeitrag
Determination of symmetry reduced structures by a soft-phonon analysis in Ni2MnGa. MRS Fall Meeting 2007, Boston, MA, USA, 26. November 2007 - 30. November 2007. Magnetic Shape Memory Alloys, (2008)
351.
Konferenzbeitrag
Hierarchical modeling of the mechanical properties of lobster cuticle from nano‐ up to macroscale: The influence of the mineral content and the microstructure. In: Proceedings of MMM 2008 "Computational Modeling of biological and soft condensed matter systems", S. 667 - 670. 4th International Conference on Multiscale Materials Modeling, Tallahassee, FL, USA, 27. Oktober 2008 - 31. Oktober 2008. Dep. of Scientific Computing, Florida State University, USA (2008)
Meeting Abstract (2)
352.
Meeting Abstract
Impact of the vapour pressure of water on the equilibrium shape of ZnO nanoparticles: An ab-initio study. In APS March Meeting 2014, abstract #Q2.009. APS March Meeting 2014 , Denver, CO, USA, 03. März 2014 - 07. März 2014. (2014)
353.
Meeting Abstract
Impact of the vapour pressure of water on the equilibrium shape of ZnO nanoparticles: An ab-initio study. In DPG Spring Meeting 2014, Abstract: O50.6. DPG Spring Meeting 2014 , Dresden, Germany, 30. März 2014 - 04. April 2015. (2014)
Vortrag (980)
354.
Vortrag
Sampling-free thermodynamics in bulk crystalline metals from the mean-field anharmonic bond model. The 11th International Conference on Multiscale Materials Modeling, Prague, Czech Republic (2024)
355.
Vortrag
Atomic insights into fundamental processes at electrochemical solid/liquid interface by ab initio calculations. 38th Topical Meeting of the International Society of Electrochemistry: Nanomaterials in Electrochemistry, Manchester, UK (2024)
356.
Vortrag
Advancing Electrochemical Insights: Ab Initio Control and Realistic Description of Solid-Liquid Interfaces. 11th International Conference on Multiscale Materials Modeling, Prague, Czech Republic (2024)
357.
Vortrag
Materials design and discovery in high-dimensional chemical and structural configuration spaces. Psi-k 2020 Conference, Lausanne, Switzerland (2024)
358.
Vortrag
Challenges in developing machine learning potentials for fully explicit modeling of solid-liquid electrochemical interfaces. CECAM Workshop "Machine Learning Potentials: From Interfaces to Solution", Ruhr-University-Bochum, Bochum, Germany (2024)
359.
Vortrag
Advancing Electrochemical Insights: Ab Initio Control and Realistic Description of Solid-Liquid Interfaces. 75th ISE Annual Meeting, Montreal, CA, USA (2024)
360.
Vortrag
Insights into stability, reactivity and degradation of electrified solid/liquid interfaces from ab initio calculations. Lorenz Workshop on "Multiscale modeling of electrochemical processes", Leiden, The Netherlands (2024)