Zhu, L.-F.; Körmann, F.; Chen, Q.; Selleby, M.; Neugebauer, J.; Grabowski, B.: Accelerating ab initio melting property calculations with machine learning: application to the high entropy alloy TaVCrW. npj Computational Materials 10 (1), 274 (2024)
Zhu, L.-F.; Körmann, F.; Ruban, A. V.; Neugebauer, J.; Grabowski, B.: Performance of the standard exchange-correlation functionals in predicting melting properties fully from first principles: Application to Al and magnetic Ni. Physical Review B 101 (14), 144108 (2020)
Zhu, L.-F.; Grabowski, B.; Neugebauer, J.: Efficient approach to compute melting properties fully from ab initio with application to Cu. Physical Review B 96 (22), 224202 (2017)
Sandlöbes, S.; Friák, M.; Dick, A.; Zaefferer, S.; Yi, S.; Letzig, D.; Pei, Z.; Zhu, L.-F.; Neugebauer, J.; Raabe, D.: Complementary TEM and ab ignition study on the ductilizing effect of Y in solid solution Mg–Y alloys. In: Proceedings of the 9th Intern. Conference on Magnesium alloys and their applications, pp. 467 - 472. 9th Intern. Conference on Magnesium alloys and their applications, Vancouver, Canada, July 08, 2012 - July 12, 2012. (2012)
Zhu, L.-F.: Towards high throughput melting property calculations with ab initio accuracy aided by machine learning potential. The third generation (3G) Calphad at KTH, Stockholm, Sweden (2023)
Zhu, L.-F.; Neugebauer, J.; Grabowski, B.: Towards high throughput melting property calculations with ab initio accuracy aided by machine learning potential. CALPHAD L Conference, Cambridge, MA, USA (2023)
Zhu, L.-F.: Melting properties from ab initio using efficient TOR-TILD approach: Applications to refractory metals V, W and V–W alloy. CALPHAD XLVIII Conference, Stockholm, Sweden (2023)
Zhu, L.-F.: Towards high throughput melting property calculations with ab initio accuracy aided by machine learning potential and pyiron workflow. CM retreat, Ebernburg, Germany (2022)
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
Water electrolysis has the potential to become the major technology for the production of the high amount of green hydrogen that is necessary for its widespread application in a decarbonized economy. The bottleneck of this electrochemical reaction is the anodic partial reaction, the oxygen evolution reaction (OER), which is sluggish and hence…