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Phase-field-crystal study of grain boundary premelting and shearing in bcc iron. Physical Review B 23.
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Structural short-range forces between solid-melt interfaces. Physical Review B 24.
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Blocking Growth by an Electrically Active Subsurface Layer: The Effect of Si as an Antisurfactant in the Growth of GaN. Physical Review Letters 25.
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Ab initio based conformational study of the crystalline alpha-chitin. Biopolymers 26.
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Ab initio identified design principles of solid-solution strengthening in Al. Science and Technology of Advanced Materials 28.
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Polarization effects due to thickness fluctuations in nonpolar InGaN/GaN quantum wells. Applied Physics Letters 29.
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Density functional theory in materials science. Wiley Interdisciplinary Reviews-Computational Molecular Science 31.
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Multi‐scale Modelling of a Biological Material: The Arthropod Exoskeleton. In: Materials Design Inspired by Nature: Function Through Inner Architecture (CHAPTER 9), S. 197 - 218 (Hg. Fratzl, P.; Dunlop, J.W.C.; Weinkamer, R.) (2013)
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Ab Initio Guided Design of Materials. In: Structural Materials and Processes in Transportation, S. 481 - 495 (Hg. Lehmhus, D.; Busse, M.; Herrmann, A. S.; Kayvantash, K.). Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim, Germany (2013)
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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, 03. März 2013 - 07. März 2013. (2013)
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Effect of antimony on primary graphite growth in cast iron - From Ab-initio calculations to experimental observations. In: TMS Annual Meeting, S. 515 - 521. 142nd Annual Meeting and Exhibition: Linking Science and Technology for Global Solutions, TMS 2013, San Antonio, TX, USA, 03. März 2013 - 07. März 2013. (2013)
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Computational coarse-graining in configuration space as basis for a predictive ab initio thermodynamics. EPSRC Symposium, Warwick, London, UK (2013)
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Strong and weak magnetic coupling in chromium. ICAMS Advanced Discussions - Current Developments, Ruhr-Universität-Bochum, Bochum, Germany (2013)
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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)