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Thomas Hammerschmidt
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New superconducting and semiconducting Fe-B compounds predicted with an ab initio evolutionary search
AN Kolmogorov, S Shah, ER Margine, AF Bialon, T Hammerschmidt, ...
Physical Review Letters 105 (21), 217003, 2010
2192010
Performant implementation of the atomic cluster expansion (PACE) and application to copper and silicon
Y Lysogorskiy, C Oord, A Bochkarev, S Menon, M Rinaldi, ...
npj Computational Materials 7 (1), 1-12, 2021
1212021
Roadmap on Machine Learning in Electronic Structure
H Kulik, T Hammerschmidt, J Schmidt, S Botti, MAL Marques, M Boley, ...
Electronic Structure 4, 023004, 2022
1052022
Control of fine-structure splitting and excitonic binding energies in selected individual InAs/GaAs quantum dots
R Seguin, A Schliwa, TD Germann, S Rodt, M Winkelnkemper, ...
Applied Physics Letters 89, 263109, 2006
942006
Additive manufacturing of CMSX-4 Ni-base superalloy by Selective Laser Melting: Influence of processing parameters and heat treatment
I Lopez-Galilea, B Ruttert, J He, T Hammerschmidt, R Drautz, B Gault, ...
Additive Manufacturing 30, 100874, 2019
802019
Theory of structural trends within 4 d and 5 d transition metal topologically close-packed phases
B Seiser, T Hammerschmidt, AN Kolmogorov, R Drautz, DG Pettifor
Physical Review B 83 (22), 224116, 2011
732011
Analytic many-body potential for InAs/GaAs surfaces and nanostructures: Formation energy of InAs quantum dots
T Hammerschmidt, P Kratzer, M Scheffler
Physical Review B 77 (23), 235303, 2008
662008
Influence of vibrational entropy on structural stability of Nb–Si and Mo–Si systems at elevated temperatures
Y Chen, T Hammerschmidt, DG Pettifor, JX Shang, Y Zhang
Acta Materialia 57 (9), 2657-2664, 2009
652009
Crowd-sourcing materials-science challenges with the NOMAD 2018 Kaggle competition
C Sutton, LM Ghiringhelli, T Yamamoto, Y Lysogorskiy, L Blumenthal, ...
npj Computational Materials 5, 111, 2019
64*2019
Ab initio study of the modification of elastic properties of α-iron by hydrostatic strain and by hydrogen interstitials
D Psiachos, T Hammerschmidt, R Drautz
Acta Materialia 59 (11), 4255-4263, 2011
612011
Microsegregation and precipitates of an as-cast Co-based superalloy—microstructural characterization and phase stability modelling
J Koßmann, CH Zenk, I Lopez-Galilea, S Neumeier, A Kostka, S Huth, ...
Journal of Materials Science 50 (19), 6329-6338, 2015
602015
Oxygen activity and peroxide formation as charge compensation mechanisms in Li 2 MnO 3
A Marusczyk, JM Albina, T Hammerschmidt, R Drautz, T Eckl, ...
Journal of Materials Chemistry A 5 (29), 15183-15190, 2017
582017
Possible routes for synthesis of new boron-rich Fe-B and Fe (1-x) Cr (x) B4 compounds
AF Bialon, T Hammerschmidt, R Drautz, S Shah, ER Margine, ...
Applied Physics Letters 98, 081901, 2011
562011
Composition and strain dependence of the piezoelectric coefficients in In x Ga 1− x As alloys
MA Migliorato, D Powell, AG Cullis, T Hammerschmidt, GP Srivastava
Physical Review B 74 (24), 245332, 2006
542006
Ionic conductivity and its dependence on structural disorder in halogenated argyrodites Li6PS5X (X= Br, Cl, I)
AR Stamminger, B Ziebarth, M Mrovec, T Hammerschmidt, R Drautz
Chemistry of Materials 31, 8673-8678, 2019
522019
Elastic response of cubic crystals to biaxial strain: Analytic results and comparison to density functional theory for InAs
T Hammerschmidt, P Kratzer, M Scheffler
Physical Review B 75 (23), 235328, 2007
492007
The thermal stability of topologically close-packed phases in the single-crystal Ni-base superalloy ERBO/1
I Lopez-Galilea, J Koßmann, A Kostka, R Drautz, LM Roncery, ...
Journal of Materials Science 51 (5), 2653-2664, 2016
452016
Topologically close-packed phases in binary transition-metal compounds: matching high-throughput ab initio calculations to an empirical structure map
T Hammerschmidt, AF Bialon, DG Pettifor, R Drautz
New Journal of Physics 15 (11), 115016, 2013
452013
Stress-induced formation of TCP phases during high temperature low cycle fatigue loading of the single-crystal Ni-base superalloy ERBO/1
C Meid, M Eggeler, P Watermeyer, A Kostka, T Hammerschmidt, R Drautz, ...
Acta materialia 168, 343-352, 2019
392019
Atomic scale configuration of planar defects in the Nb-rich C14 laves phase NbFe2
M Šlapáková, A Zendegani, CH Liebscher, T Hickel, J Neugebauer, ...
Acta Materialia 183, 362-376, 2020
382020
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