Released DFTK version 0.7.22: https://dftk.org/releases with initial support for exact exchange and #HybridDFT and notable #performance engineering for #GPU-based #response calculations. Special thanks to Augustin Bussy (CSCS) and Tobias Schäfer (TU Wien) as well as all other #dftk contributors.
#densityfunctionaltheory #condensedmatter #dfpt #physics #simulation #planewave
Released #dftk version 0.7.19: https://dftk.org/releases with support for #hubbard corrections (#DFT+U) and various #gpu-related #performance improvements.
#densityfunctionaltheory #condensedmatter #dfpt #response #physics #simulation #planewave
I managed to get a few shots of NGC7293, The Helix Nebula on 10/16. This is usually pretty low on my horizon so it's difficult to capture. Well worth the effort though...The first shot is natural color, the second and third are Hubble Palette and Foraxx Palette narrowband images. Thanks for looking. Ps8:3-4
#lightbucketastro #astrophotograpy #nebula #helixnebula #planewave
I had an opportunity to shoot IC5146 The Cocoon Nebula, and The area around the star cluster NGC6883 over the last couple nights. Attached are the results. One pic of the cocoon nebula, and then several views of NGC6883 in narrowband palettes and natural color. Enjoy!
Rom1:20
#lightbucketastro #nebula #planewave #astrophotography
Last night was clear and no moon, which makes for some good pictures. Attached are three shots of Sh2-171 / CED214. The first is in visible light, the second and third are narrowband images with different color palettes.
Ps8:3-4
#lightbucketastro #astrophotography #nebula #planewave
New preprint: https://arxiv.org/abs/2509.07785
We present an implementation of AD-DFPT, a unification of #automaticdifferentiation with classical #dfpt response techniques for #densityfunctionaltheory (#dft). We demonstrate its use for #property predition, #uncertainty propagation, design of new #materials as well as the #machinelearning of new #dft models.
#condensedmatter #planewave #response #physics #simulation #computation
We present a differentiation framework for plane-wave density-functional theory (DFT) that combines the strengths of algorithmic differentiation (AD) and density-functional perturbation theory (DFPT). In the resulting AD-DFPT framework derivatives of any DFT output quantity with respect to any input parameter (e.g. geometry, density functional or pseudopotential) can be computed accurately without deriving gradient expressions by hand. We implement AD-DFPT into the Density-Functional ToolKit (DFTK) and show its broad applicability. Amongst others we consider the inverse design of a semiconductor band gap, the learning of exchange-correlation functional parameters, or the propagation of DFT parameter uncertainties to relaxed structures. These examples demonstrate a number of promising research avenues opened by gradient-driven workflows in first-principles materials modeling.
I had a couple more opportunities to snap a few pictures. Included here are SH2-155 The Cave Nebula, and a well-known favorite for this time of year M-16 The Eagle Nebula made famous by the Hubble Telescope's shots of it, and particularly the area in the center called The Pillars of Creation. These shot include natural light, plus a couple alternative color palettes to show varying details.
Ps 8:3
#astrophotography #telescope #planewave #lightbucketastro #nebula
I have some new pics for you! Over the past couple weeks I've managed to open the observatory roof to clear skies. With a good collection of targets, I got behind on processing. Nonetheless, here they are - IC5070 The Pelican Nebula, and The Cygnus Wall in NGC7000
A few more of my recent shots taken over the week of July 20th - including some lesser-photographed objects.
NGC6995 (eastern veil nebula), IC5068 (forsaken nebula), and SH2-132 (lion nebula).
I'm still working out some of the kinks in the new setup, but it's starting to come together! #planewave #astrophotography #nebula #lightbucketastro
Michael Herbst
JWalters
MatMat