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Spatschek, R. P.; Gobbi, G.; Hüter, C.; Chakrabarty, A.; Aydin, U.; Brinckmann, S.; Neugebauer, J.: Scale bridging description of coherent phase equilibria in the presence of surfaces and interfaces. Physical Review B 94 (13), 134106 (2016)

von Appen, J.; Dronskowski, R.; Chakrabarty, A.; Hickel, T.; Spatschek, R. P.; Neugebauer, J.: Impact of Mn on the solution enthalpy of hydrogen in austenitic Fe–Mn alloys: A first-principles study. Journal of Computational Chemistry 35 (31), pp. 2239 - 2244 (2014)

Hickel, T.; Nazarov, R.; McEniry, E.; Chakrabarty, A.; Dey, P.; Aydin, U.; Leyson, G.; Grabowski, B.; Neugebauer, J.: Ab initio based understanding of the segregation and diffusion mechanisms of hydrogen in steels. SteelyHydrogen 2014, International conference on hydrogen in steels, Ghent, Belgium (2014)

Hickel, T.; Nazarov, R.; McEniry, E.; Chakrabarty, A.; Dey, P.; Spatschek, R. P.; Grabowski, B.; Neugebauer, J.: Ab initio based understanding of the segregation and diffusion mechanisms of hydrogen in steels. TMS Annual Meeting 2014, San Diego, CA, USA (2014)

Hickel, T.; Nazarov, R.; McEniry, E.; Chakrabarty, A.; Dey, P.; Aydin, U.; Leyson, G.; Grabowski, B.; Neugebauer, J.: Ab initio based understanding of the segregation and diffusion mechanisms of hydrogen in steels. Workshop on Hydrogen Embrittlement, Düsseldorf, Germany (2014)

Chakrabarty, A.; von Pezold, J.; Spatschek, R.; Hickel, T.; Neugebauer, J.: First-principles calculations of the key atomistic parameters related to hydrogen embrittlement in FeMn. DPG Frühjahrstagung 2013, Regensburg, Germany (2013)

Chakrabarty, A.; von Pezold, J.; Neugebauer, J.: Hydrogen in fcc antiferromagnetic FeMn: An ab-initio study. SFB761 annual retreat meeting 2012, Bad Neuenahr, Germany (2012)