Skip to main content Skip to navigation

Software


Select tags to filter on

winak: Global optimization and materials structure search

winak: Global optimization and materials structure search

Reinhard J. Maurer and Konstantin Krautgasser, 2016

Curvilinear delocalized coordinates and analysis tools are used to sample geometries of clusters, organic molecules, and condensed matter systems.

Tue 19 Sep 2017, 10:00 | Tags: global optimization, basin hopping, curvilinear coordinates

[image-with-text alt="dftb+" position="top-left" src="dftb.png"][/image-with-text]