Journal Article (32)
21.
Journal Article
25 (4), 045008 (2013)
Atomic scale morphology, growth behaviour and electronic properties of semipolar {101̄3} GaN surfaces. Journal of Physics: Condensed Matter 22.
Journal Article
87 (2), 024110 (2013)
Phase-field-crystal study of grain boundary premelting and shearing in bcc iron. Physical Review B 23.
Journal Article
87 (2), 024109 (2013)
Structural short-range forces between solid-melt interfaces. Physical Review B 24.
Journal Article
110 (3), 036103 (2013)
Blocking Growth by an Electrically Active Subsurface Layer: The Effect of Si as an Antisurfactant in the Growth of GaN. Physical Review Letters 25.
Journal Article
99, pp. 22 - 34 (2013)
Ab initio based conformational study of the crystalline alpha-chitin. Biopolymers 26.
Journal Article
3 (12), 122112 (2013)
Thickness dependent exchange bias in martensitic epitaxial Ni–Mn–Sn thin films. AIP Advances 27.
Journal Article
14 (2), 025001 (2013)
Ab initio identified design principles of solid-solution strengthening in Al. Science and Technology of Advanced Materials 28.
Journal Article
103 (7), pp. 073115-1 - 073115-4 (2013)
Polarization effects due to thickness fluctuations in nonpolar InGaN/GaN quantum wells. Applied Physics Letters 29.
Journal Article
375, pp. 39 - 48 (2013)
Phase field modeling of phase transitions stimulated by Joule heating. Journal of Crystal Growth 30.
Journal Article
3 (5), pp. 438 - 448 (2013)
Density functional theory in materials science. Wiley Interdisciplinary Reviews-Computational Molecular Science 31.
Journal Article
50 (14-15), pp. 2424 - 2436 (2013)
Driving forces for interface kinetics and phase field models. International Journal of Solids and Structures 32.
Journal Article
61 (2), pp. 494 - 510 (2013)
Revealing the strain-hardening behavior of twinning-induced plasticity steels: Theory, simulations, experiments. Acta Materialia Book Chapter (2)
33.
Book Chapter
Multi‐scale Modelling of a Biological Material: The Arthropod Exoskeleton. In: Materials Design Inspired by Nature: Function Through Inner Architecture (CHAPTER 9), pp. 197 - 218 (Eds. Fratzl, P.; Dunlop, J.W.C.; Weinkamer, R.) (2013)
34.
Book Chapter
Ab Initio Guided Design of Materials. In: Structural Materials and Processes in Transportation, pp. 481 - 495 (Eds. Lehmhus, D.; Busse, M.; Herrmann, A. S.; Kayvantash, K.). Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim, Germany (2013)
Conference Paper (2)
35.
Conference Paper
Effect of Antimony on Primary Graphite Growth in Cast Iron-From Ab-Initio Calculations to Experimental Observations. In: TMS2013 Supplemental Proceedings. 2013 TMS Annual Meeting & Exhibition (Frontiers in Solidification Science Symposium), Henry B. Gonzalez Convention Center, San Antonio, TX, USA, March 03, 2013 - March 07, 2013. (2013)
36.
Conference Paper
Effect of antimony on primary graphite growth in cast iron - From Ab-initio calculations to experimental observations. In: TMS Annual Meeting, pp. 515 - 521. 142nd Annual Meeting and Exhibition: Linking Science and Technology for Global Solutions, TMS 2013, San Antonio, TX, USA, March 03, 2013 - March 07, 2013. (2013)
Talk (77)
37.
Talk
Computational coarse-graining in configuration space as basis for a predictive ab initio thermodynamics. EPSRC Symposium, Warwick, London, UK (2013)
38.
Talk
Strong and weak magnetic coupling in chromium. ICAMS Advanced Discussions - Current Developments, Ruhr-Universität-Bochum, Bochum, Germany (2013)
39.
Talk
First principles at finite temperatures: New approaches and massively parallel computations. IMR Seminar at Institute for Materials Research, Tohoku University, Sendai, Japan (2013)
40.
Talk
First principles at finite temperatures: New approaches and massively parallel computations. CMSI International Symposium 2013: Extending the power of computational materials sciences with K-computer, Ito International Research Center, University of Tokyo, Japan (2013)