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
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
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
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
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
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
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
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
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
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
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
Atomistic modelling of materials with bond-order potentials
T Hammerschmidt, R Drautz, DG Pettifor
International Journal of Materials Research 100 (11), 1479-1487, 2009
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
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
First-principles-based phase diagrams and thermodynamic properties of TCP phases in Re–X systems (X= Ta, V, W)
M Palumbo, SG Fries, T Hammerschmidt, T Abe, JC Crivello, AAH Breidi, ...
Computational Materials Science 81, 433-445, 2014
Including the effects of pressure and stress in thermodynamic functions
T Hammerschmidt, IA Abrikosov, D Alfè, SG Fries, L Höglund, ...
physica status solidi (b) 251 (1), 81-96, 2014
Solubility and ordering of Ti, Ta, Mo and W on the Al sublattice in L1 2-Co 3 Al
J Koßmann, T Hammerschmidt, S Maisel, S Müller, R Drautz
Intermetallics 64, 44-50, 2015
Embedded atom simulations of titanium systems with grain boundaries
T Hammerschmidt, A Kersch, P Vogl
Physical Review B 71 (20), 205409, 2005
Ab initio study of boron in α-iron: Migration barriers and interaction with point defects
AF Bialon, T Hammerschmidt, R Drautz
Physical Review B 87 (10), 104109, 2013
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
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