Moansi: Inhomogeneous preconditioning for density-functional theory

Last week (24th and 25th September) I attended the 4th annual meeting of the Moansi (Modelling, analysis and simulation of Molecular Systems) work group of the GAMM. I already attended the Moansi meeting last year, where I very much enjoyed both the broad range of talks at the interdisciplinary border of maths, chemistry and physics as well as the familial atmosphere with lively and stimulating discussions. In the same spirit I was looking forward to this year's addition, where in light of the global pandemic, however, the workshop had to be virtual. Nevertheless I was able to take away many stimulating impressions from the two days of the meeting and I already look forward to next year, where we hopefully meet again in person.

During the meeting I myself presented our recently published work on an LDOS-based SCF preconditioner, which is especially suitable for DFT calculations in inhomogeneous systems (metallic slabs or clusters). See this blog article and my slides for details.

Black-box inhomogeneous preconditioning for density-functional theory (Slides)