Publications
Journal Article (8)
1.
Journal Article
5 (1), 80 (2019)
Ab initio vibrational free energies including anharmonicity for multicomponent alloys. npj Computational Materials 2.
Journal Article
5 (1), 55 (2019)
Impact of lattice relaxations on phase transitions in a high-entropy alloy studied by machine-learning potentials. npj Computational Materials 3.
Journal Article
3 (11), 113603 (2019)
Impact of interstitial C on phase stability and stacking-fault energy of the CrMnFeCoNi high-entropy alloy. Physical Review Materials 4.
Journal Article
3, 084407 (2019)
Ab initio phase stabilities of Ce-based hard magnetic materials and comparison with experimental phase diagrams. Physical Review Materials 5.
Journal Article
111, 106520 (2019)
Invar effects in FeNiCo medium entropy alloys: From an Invar treasure map to alloy design. Intermetallics 6.
Journal Article
31, 1807142 (2019)
Ultrastrong Medium‐Entropy Single‐Phase Alloys Designed via Severe Lattice Distortion. Advanced Materials 7.
Journal Article
147, pp. 464 - 511 (2019)
Ab initio phase stabilities and mechanical properties of multicomponent alloys: A comprehensive review for high entropy alloys and compositionally complex alloys. Materials Characterization 8.
Journal Article
10, 2090 (2019)
Engineering atomic-level complexity in high-entropy and complex concentrated alloys. Nature Communications Talk (20)
9.
Talk
Construction and exploitation of large ab initio data spaces to design materials with superior mechanical properties. MRS-J: Materials Research Meeting 2019, Yokohama, Japan (2019)
10.
Talk
Metastability High Entropy Alloy Design. MRS Fall Conference, Boston, MA, USA (2019)
11.
Talk
Ab initio descriptors to design materials with superior mechanical properties. Materials Day, ETH Zürich, Zürich, Switzerland (2019)
12.
Talk
Interstitial alloying and stacking-fault energies in CrMnFeCoNi. 3rd German-Dutch Workshop on “Computational Materials Science” , Domburg, The Netherlands (2019)
13.
Talk
Tuning stacking-fault energies and local lattice distortions in high-entropy alloys. Theory of Complex Disorder in Materials (TCDM2019) , Linköping, Sweden (2019)
14.
Talk
Ab initio description of coupling phenomena between magnetic and structural degrees of freedom. EASTMAG2019 – VII Euro-Asian Symposium “Trends in Magnetism”, Jekaterinburg, Russia (2019)
15.
Talk
Ab initio simulation of finite temperature phase stabilities: Concepts and application. HetSys Launch Event, Warwick, UK (2019)
16.
Talk
Phase stability and mechanical properties of high entropy and chemically complex alloys. MS&T Annual Meeting, Portland, OR, USA (2019)
17.
Talk
Metastable High Entropy Alloys. World Congress on High Entropy Alloys, Seattle, WA, USA (2019)
18.
Talk
Ab initio input for multiphysics models: Accuracy, performance and challenges. ISAM4: The fourth International Symposium on Atomistic and Multiscale Modeling of Mechanics and Multiphysics, Erlangen, Germany (2019)
19.
Talk
Ab initio design strategies for NiMn-based FSMA. 6th Int. Conf. of Ferromagnetic Shape-Memory Alloys CFSMA, Prague, Czech Republic (2019)
20.
Talk
Exploiting large ab initio data spaces to design materials with superior mechanical propertiess. 2019 BIOVIA User Conference, Düsseldorf, Germany (2019)