electronic reprint Journal of Applied Crystallography ISSN 0021-8898 Editor: Anke R. Kaysser-Pyzalla High-pressure phase transitions and equations of state in NiSi. I. Ab initio simulations Lidunka Voˇ cadlo, Ian G. Wood and David P. Dobson J. Appl. Cryst. (2012). 45, 186–196 Copyright c  International Union of Crystallography Author(s) of this paper may load this reprint on their own web site or institutional repository provided that this cover page is retained. Republication of this article or its storage in electronic databases other than as speciﬁed above is not permitted without prior permission in writing from the IUCr. For further information see http://journals.iucr.org/services/authorrights.html Journal of Applied Crystallography covers a wide range of crystallographic topics from the viewpoints of both techniques and theory. The journal presents papers on the applica- tion of crystallographic techniques and on the related apparatus and computer software. For many years, the Journal of Applied Crystallography has been the main vehicle for the publication of small-angle scattering papers and powder diffraction techniques. The journal is the primary place where crystallographic computer program information is published. Crystallography Journals Online is available from journals.iucr.org J. Appl. Cryst. (2012). 45, 186–196 Lidunka Voˇ cadlo et al. · High-pressure phase transitions in NiSi. I.