Neugebauer, J.: Database concepts and ICME links for atomistic simulations. Plenary talk, 2nd International Workshop on Software Solutions for Integrated Computational Materials Engineering ICME 2016, Barcelona, Spain (2016)

Surendralal, S.; Todorova, M.; Neugebauer, J.: Automated calculations for charged point defects in MgO and α-Fe₂O₃. DPG-Frühjahrstagung 2016, Regensburg, Germany (2016)

Grabowski, B.: Modern materials design from first-principles: Recent progress and future prospects. DPG Jahrestagung Regensburg, Regensburg, Germany (2016)

Dutta, B.; Debashish, D.; Ghosh, S.; Sanyal, B.; Hickel, T.; Neugebauer, J.: Intricacies of phonon line shapes in random alloys: A first-principles study. DPG Spring Meeting of the Condensed Matter Section, Regensburg, Germany (2016)

Dey, P.; Nazarov, R.; Dutta, B.; Yao, M.; Herbig, M.; Friák, M.; Hickel, T.; Raabe, D.; Neugebauer, J.: Origin of the off-stoichiometry of Fe–Mn–Al–C κ carbides: An ab-initio explanation of atom probe tomography data. DPG 2016, Regensburg, Germany (2016)

Dutta, B.; Begum, V.; Hickel, T.; Neugebauer, J.: Impact of point defects on the phase stability in Heusler alloys: A first-principles study. DPG Spring Meeting of the Condensed Matter Section, Regensburg, Germany (2016)

Vatti, A. K.; Todorova, M.; Neugebauer, J.: Ab initio Determination of Formation Energies and Charge Transfer Levels of Charged Ions in Water. APS 2016, Baltimore, MD, USA (2016)

Vatti, A. K.; Todorova, M.; Neugebauer, J.: Formation Energy of Ions in Water using ab-initio Molecular Dynamics. DPG Frühjahrstagung 2016, Regensburg, Germany (2016)

Zendegani, A.; Körmann, F.; Hickel, T.; Hallstedt, B.; Neugebauer, J.: Heat capacity of the quaternary Q phase in Al–Cu–Mg–Si: A combined ab-initio, phonon and compound energy formalism approach. DPG-Frühjahrstagung 2016, Regensburg, Germany (2016)

Neugebauer, J.: The digital transformation in Materials Science from a Modellers Perspective. VDI Workshop „Digitale Transformation in der Werkstofftechnik”, Düsseldorf, Germany (2016)

Körmann, F.; Grabowski, B.; Hickel, T.; Neugebauer, J.: Lattice excitations in magnetic alloys: Recent advances in ab initio modeling of coupled spin and atomic fluctuations. TMS Annual Meeting 2016, Nashville, TN, USA (2016)

Neugebauer, J.: Inclusion of Phonon-Phonon and Magnon-Phonon couplings in the thermodynamic description of materials: An ab initio approach. TMS Conference, Nashville, TN, USA (2016)

Neugebauer, J.: Understanding the fundamental mechanisms behind H embrittlement in metals: An ab initio guided multiscale approach. Joint Hydrogenius and I2CNER International Workshop on Hydrogen-Materials Interactions at Kyushu University, Fukuoka, Japan (2016)

Glensk, A.; Grabowski, B.; Hickel, T.; Neugebauer, J.: The origin of anharmonicity in fcc solids. TMS 2016, Nashville, TN, USA (2016)

Jaya, B. N.; Alam, M.; Bhowmick, S.; Das , D. K.; Kamat , S. V.; Asif, S. A. S.; Jayaram, V.: Composition and temperature dependence of fracture behavior of diffusion aluminide bond coats. 2016 TMS Annual Meeting and Exhibition Symposium: High-Temperature Systems for Energy Conversion and Storage, Nashville, TN, USA (2016)

Neugebauer, J.: Describing Hydrogen Embrittlement by ab initio guided multiscale modeling – status, perspectives and challenges. I2CNER Annual Symposium: Computational Solutions to Fundamental Problems in Carbon-Neutral Energy Research, Fukuoka, Japan (2016)

Neugebauer, J.: Mechanical properties and finite temperatures. CECAM Conference Lausanne, Lausanne, Switzerland (2016)

Li, Z.; Körmann, F.; Grabowski, B.; Neugebauer, J.; Raabe, D.: Shear Transformation in a Non-Equiatomic CoCrFeMnNi High-Entropy Alloy. 2016 MRS Fall Meeting, Boston, MA, USA (2016)

Raabe, D.; Li, Z.; Tasan, C. C.; Yao, M.; Ma, D.; Grabowski, B.; Körmann, F.; Neugebauer, J.: Thermodynamics and Mechanical Properties of Non-Equiatomic CoCrFeMnNi Alloys. 2016 MRS Fall Meeting, Boston, MA, USA (2016)

Yao, M.; Dey, P.; Welsch, E. D.; Choi, P.-P.; Herbig, M.; Gault, B.; Seol, J. B.; Marceau, R. K. W.: Atomistic understanding of structure and deformation of nano-sized kappa-carbide precipitates in light-weight steels. APT&M 2016, The 55th International Conference on Atom Probe Tomography & Microscopy, Gyeongju, South Korea (2016)