Hickel, T.; Uijttewaal, M.; Grabowski, B.; Lencer, D.; Neugebauer, J.: First principles determination of structural phase transitions in smart materials. International Workshop on Multiscale Materials Modelling (IWoM3), Berlin, Germany (2009)
Körmann, F.; Dick, A.; Grabowski, B.; Hickel, T.; Neugebauer, J.: The free energy of iron: Integrated ab initio derivation of vibrational, electronic, and magnetic contributions. International Workshop on Multiscale Materials Modelling (IWoM3), Berlin, Germany (2009)
Udyansky, A.; Friák, M.; Grabowski, B.; Hickel, T.; Neugebauer, J.: First Principles Study of Fe–C interstitial solid solutions. International Workshop on Ab initio Description of Iron and Steel (ADIS2008), Ringberg Castle, Germany (2008)
Hickel, T.; Uijttewaal, M.; Grabowski, B.; Neugebauer, J.: First principles determination of phase transitions: The (pre)martensitic transition in Ni2MnGa. UCSB-MPG Workshop on Inorganic Materials for Energy Conversion, Storage and Conservation, UCLA Lake Arrowhead Conference Center, CA, USA (2008)
Körmann, F.; Dick, A.; Grabowski, B.; Hickel, T.; Neugebauer, J.: Importance of magnetism for the thermal expansion of transition metals: An ab initio study. Spring meeting of the German Physical Society (DPG), Berlin, Germany (2008)
Hickel, T.; Uijttewaal, M.; Grabowski, B.; Neugebauer, J.: A first principle determination of phase transitions in magnetic shape memory alloys. Multiscale approach to alloys: Advances and challenges, Stockholm, Sweden (2007)
Hickel, T.; Uijttewaal, M.; Grabowski, B.; Neugebauer, J.: Determination of symmetry reduced structures by a soft-phonon analysis in magnetic shape memory alloys. Theory meets industry. The impact of density-functional calculation on materials science, Vienna, Austria (2007)
Grabowski, B.; Hickel, T.; Neugebauer, J.: Accuracy and error bars of DFT calculated thermodynamic properties for elementary metals. 13th International Workshop on Computational Physics and Materials Science: Total Energy and Force Methods, Trieste, Italy (2007)
Hickel, T.; Grabowski, B.; Uijttewaal, M.; Neugebauer, J.: Determination of symmetry-reduced structures by a soft-phonon analysis in magnetic shape memory alloys. 13th International Workshop on Computational Physics and Materials Science: Total Energy and Force Methods, Trieste, Italy (2007)
Hickel, T.; Grabowski, B.; Neugebauer, J.; Neumann, B.; Neumann, K.-U.; Ziebeck, K. R. A.: Temperature dependent properties of the Heusler alloy Ni2+xMn1-xGa. International Workshop on Ab initio Description of Iron and Steel (ADIS2006), Status and future challenges, Ringberg Castle, Germany (2006)
Hickel, T.; Grabowski, B.; Neumann, K.; Neumann, K.-U.; Ziebeck, K. R. A.; Neugebauer, J.: Temperature dependent properties of Ni-rich Ni2MnGa. Materials Research Society fall meeting, Boston, MA, USA (2005)
Grabowski, B.: Towards ab initio assisted materials design: DFT based thermodynamics up to the melting point. Dissertation, University of Paderborn, Paderborn, Germany (2009)
Max Planck scientists design a process that merges metal extraction, alloying and processing into one single, eco-friendly step. Their results are now published in the journal Nature.
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
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