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EDITORIAL

Computational materials science

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Published under licence by IOP Publishing Ltd
, , Citation Gerhard Kahl and Georg Kresse 2011 J. Phys.: Condens. Matter 23 400201 DOI 10.1088/0953-8984/23/40/400201

0953-8984/23/40/400201

Abstract

Special issue in honour of Jürgen Hafner

On 30 September 2010, Jürgen Hafner, one of the most prominent and influential members within the solid state community, retired. His remarkably broad scientific oeuvre has made him one of the founding fathers of modern computational materials science: more than 600 scientific publications, numerous contributions to books, and a highly cited monograph, which has become a standard reference in the theory of metals, witness not only the remarkable productivity of Jürgen Hafner but also his impact in theoretical solid state physics.

In an effort to duly acknowledge Jürgen Hafner's lasting impact in this field, a Festsymposium was held on 27–29 September 2010 at the Universität Wien. The organizers of this symposium (and authors of this editorial) are proud to say that a large number of highly renowned scientists in theoretical condensed matter theory—co-workers, friends and students—accepted the invitation to this celebration of Hafner's jubilee. Some of these speakers also followed our invitation to submit their contribution to this Festschrift, published in Journal of Physics: Condensed Matter, a journal which Jürgen Hafner served in 2000–2003 and 2003–2006 as a member of the Advisory Editorial Board and member of the Executive Board, respectively.

In the subsequent article, Volker Heine, friend and co-worker of Jürgen Hafner over many decades, gives an account of Hafner's impact in the field of theoretical condensed matter physics.

Computational materials science contents

Theoretical study of structural, mechanical and spectroscopic properties of boehmite (γ-AlOOH) D Tunega, H Pašalić, M H Gerzabek and H Lischka

Ethylene epoxidation catalyzed by chlorine-promoted silver oxide M O Ozbek, I Onal and R A Van Santen

First-principles study of Cu2ZnSnS4 and the related band offsets for photovoltaic applications A Nagoya, R Asahi and G Kresse

Renormalization group study of random quantum magnets István A Kovács and Ferenc Iglói

Ordering effects in disordered systems: the Au–Si system N Jakse, T L T Nguyen and A Pasturel

On the stability of Archimedean tilings formed by patchy particles Moritz Antlanger, Günther Doppelbauer and Gerhard Kahl

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10.1088/0953-8984/23/40/400201