Publications of B. Grabowski

Hickel, T.; Dick, A.; Körmann, F.; Grabowski, B.; Neugebauer, J.: Advancing ab initio to finite temperatures for applications in materials design. DPG Frühjahrstagung 2012, Berlin, Germany (2012)

Grabowski, B.: Ab initio prediction of materials properties up to the melting point. Condensed Matter and Materials Division seminar series, Lawrence Livermore National Lab, Livermore, CA, USA (2012)

Körmann, F.; Dick, A.; Grabowski, B.; Hickel, T.; Neugebauer, J.: Atomic forces at finite magnetic temperatures: Phonons in paramagnetic iron. 1st Austrian/German Workshop on Computational Materials Design, Kramsach, Austria (2012)

Grabowski, B.: Ab initio prediction of materials properties up to the melting point. Seminar: "Ab initio Description of Iron and Steel: Thermodynamics and Kinetics", Tegernsee, Germany (2012)

Hickel, T.; Glensk, A.; Grabowski, B.; Neugebauer, J.: Ab initio up to the melting point: Integrated approach to derive accurate thermodynamic data for Al alloys. European Aluminium Association, European Aluminium Technology Platform, Working Group 5: Predictive Modelling, 5th workshop: ab initio modelling, Aachen, Germany (2011)

Glensk, A.; Grabowski, B.; Hickel, T.; Neugebauer, J.: Ab initio up to the melting point: Anharmonicity in copper. CM-Workshop, Attendorn, Germany (2011)

Hickel, T.; Grabowski, B.; Nazarov, R.; Sandschneider, N.; Neugebauer, J.: Ab initio determination of point defects and derived diffusion properties in metals. 3rd Sino-German Symposium, Xi’an, Shaanxi, China (2011)

Hickel, T.; Grabowski, B.; Körmann, F.; Dick, A.; Neugebauer, J.: Computational Phase Studies: Deriving free energies and phase transitions from first principles. CECAM workshop 442: Materials Informatics: Tools for Design and Discovery, Lausanne, Switzerland (2011)

Neugebauer, J.; Nazarov, R.; Grabowski, B.; Körmann, F.; von Pezold, J.; Hickel, T.: Fully Ab Initio Description of Point Defect Formation and Properties at Extreme Temperatures. MRS 2011 Spring Meeting, San Francisco, CA, USA (2011)

Glensk, A.; Grabowski, B.; Hickel, T.; Neugebauer, J.: Ab initio prediction of thermodynamic data for selected phases of the Al–Mg–Si–Cu system. DPG conference, Dresden, Germany (2011)

Hickel, T.; Körmann, F.; Grabowski, B.; Dick, A.; Neugebauer, J.: First principles concepts to calculate thermodynamic properties of magnetic materials. ICAMS Advanced Discussions, Bochum, Germany (2011)

Hickel, T.; Grabowski, B.; Körmann, F.; Friák, M.; Al-Zubi, A.; Glensk, A.; Dick, A.; Neugebauer, J.: Phase stabilities of metals at finite temperatures: Ab initio meets CALPHAD. 468. WE-Heraeus-Seminar, Ab intio Description of Iron and Steel (ADIS2010): Mechanical Properties, Ringberg, Germany (2010)

Grabowski, B.; Hickel, T.; Glensk, A.; Neugebauer, J.: Integrated approach to derive thermodynamic data for pure Al and Al alloys up to the melting point. Psi-k Conference 2010, Berlin, Germany (2010)

Glensk, A.; Grabowski, B.; Hickel, T.; Neugebauer, J.: Ab initio prediction of thermodynamic data for selected phases of the Al-Mg-Si-Cu system. CECAM Summer School on Computational Materials Sciences, San Sebastian, Spain (2010)

Grabowski, B.; Glensk, A.: Thermodynamics - Master class. Summer School: Computational Materials Science, San Sebastian, Spain (2010)

Hickel, T.; Grabowski, B.; Körmann, F.; Dick, A.; Neugebauer, J.: Using ab initio methods to predict thermodynamic properties of metals. Summer School: Computational Materials Science, San Sebastian, Spain (2010)

Grabowski, B.; Ismer, L.; Hickel, T.; Neugebauer, J.: Ab initio concepts for an efficient and accurate determination of thermodynamic properties up to the melting point. Calphad XXXIX, Jeju Island, South Korea (2010)

Hickel, T.; Al-Zubi, A.; Grabowski, B.; Neugebauer, J.: First principles determination of phase transitions in magnetic shape memory alloys. Calphad XXXIX, Jeju Island, South Korea (2010)

Grabowski, B.; Ismer, L.; Hickel, T.; Neugebauer, J.: Computing Ab Initio Free Energy Contributions of Point Defects. DPG Frühjahrstagung 2010, Regensburg, Germany (2010)

Körmann, F.; Dick, A.; Grabowski, B.; Hickel, T.; Neugebauer, J.: Ab initio determination of the magnetic free energy contribution of metallic systems. DPG Frühjahrstagung 2010, Regensburg, Germany (2010)