Self consistent hybrid functionals What we ve learned so far

These are exciting times for computational materials science. We are witnessing a wide spread availability of high performance computing facilities, a huge increase in accessible computational resources, and an accompanying development of new exchange correlation functionals within density functional theory. All this contributes to the establishment of density functional theory as an indispensable tool for materials science investigations in general. Here, we want to highlight some examples utilising a recently developed self consistent hybrid functional, proposed by Shimazaki and Asai J Chem Phys 130 164702, 2009 [3] and Skone et al. Phys Rev B 89 195112, 2014 [4] , allowing for the calculation of accurate material properties using a fully ab initio procedure. The obtained structural and electronic properties of a range of oxide semiconductors will be critically discussed with respect to experimental results, and pave the way towards open questions in the fiel

Stage-specific control of early B cell development by the transcription factor Ikaros

The transcription factor Ikaros is an essential regulator of lymphopoiesis. Here we studied its B cell-specific function by conditional inactivation of the gene encoding Ikaros (Ikzf1) in pro-B cells. B cell development was arrested at an aberrant 'pro-B cell' stage characterized by increased cell adhesion and loss of signaling via the pre-B cell signaling complex (pre-BCR). Ikaros activated genes encoding signal transducers of the pre-BCR and repressed genes involved in the downregulation of pre-BCR signaling and upregulation of the integrin signaling pathway. Unexpectedly, derepression of expression of the transcription factor Aiolos did not compensate for the loss of Ikaros in pro-B cells. Ikaros induced or suppressed active chromatin at regulatory elements of activated or repressed target genes. Notably, binding of Ikaros and expression of its target genes were dynamically regulated at distinct stages of early B lymphopoiesis