Computational condensed-matter chemistry: Ion solvation and metal oxide surfaces
Dnr:
SNIC 2018/1-33
Type:
SNIC Large Compute
Principal Investigator:
Kersti Hermansson
Affiliation:
Uppsala universitet
Start Date:
2018-07-01
End Date:
2019-07-01
Primary Classification:
10407: Theoretical Chemistry
Secondary Classification:
10403: Materials Chemistry
Tertiary Classification:
10404: Inorganic Chemistry
Webpage:
Allocation
- Tetralith at NSC: 1404 x 1000 core-h/month
- Beskow at PDC: 750 x 1000 core-h/month
- Rackham at UPPMAX: 220 x 1000 core-h/month
- Kebnekaise at HPC2N: 200 x 1000 core-h/month
- Crex 1 at UPPMAX: 128 GiB
- Tegner at PDC: 12 x 1000 core-h/month
- Snowy at UPPMAX: 1 x 1000 core-h/month
Abstract
This proposal deals with two specific projects that we are
currently involved in or getting involved in: (A) Simulations of solvents and ionic solutions in bulk and at interfaces (B) Functional metal oxide surfaces and nano-particles.