Prof. Dr.-Ing. Dierk Raabe
Max-Planck-Institut für Eisenforschung GmbH, DüsseldorfPhone: +49 211 6792-278
Fax: +49 211 6792-333
Email: raabe@mpie.de
Chemistry . Complex Systems . Computer Science . Material Sciences . Quantum Physics . Solid State Research
Computational Materials Science
(Wiley-VCH, 1998).
Handbook of Materials Modeling,
Part A. Methods (ed. Yip, S.) 149–194 (Springer, 2005).
A concept for synthesis planning in solidstate chemistry.
Angew.Chem. Int. Ed. Eng. 41, 3747–3766 (2002).
First step towards planning of syntheses in solid-state chemistry: determination of promising structure candidates by global optimization.
Angew. Chem. Int. Ed. Eng. 35, 1286–1304 (1996).
Multiscale simulation of soft matter systems: from the atomistic to the coarse-grained level and back.
Soft Matter 5, 4357–4366 (2009).
Multiscale simulation of soft matter: from scale bridging to adaptive resolution.
Ann. Rev. Phys. Chem. 59, 545–571 (2008).
Design of helices that are stable in vacuo.
J. Am. Chem. Soc. 120, 12974–12975 (1998).
Accurate molecular van der Waals interactions from ground-state electron density and free-atom reference data.
Phys. Rev. Lett. 102, 073005 (2009).
Theory-guided bottom-up design of beta-titanium alloys as biomaterials based on first principles calculations: theory and experiments.
Acta Materialia 55, 4475–4487 (2007).
Theory guided design of Tibased binaries for human implants.
J. Phys. Condense. Matter 20, 064221 (2008).
Delay in Photoemission.
Science 328, 1658–1662 (2010).
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