We apply to secure 12 months of 2022 computing resources (as well as storage)
for the research programs of Chalmers architects of the van der Waals (vdW)
density functional (vdW-DF) method for truly-nonlocal density functional theory (DFT) calculations. We apply to continue our present (12 month) large computation SNIC2019-3-13 (and medium storage SNIC2020/6-227) grants to broaden our launch and
demonstration of the first range-separated nonlocal-correlation hybrids, termed vdW-DF-ahcx and vdW-DF2-ahbr.
The overall goal is to seek a better theoretical understanding of
DNA, of weak chemisorption of organics (including
polymers), of (potentially) soft modes and phase transitions in oxides,
in polymers, in magnetic and hybrid-organic-oxide
ferroelectrics, and to map the anharmonic dynamics of peptides for
understanding optical-response measurements. To that end we propose that a wider
set of documentation projects joins the ongoing method launch.