Dataset Open Access
Data publication: Van-der-Waals exchange-correlation functionals and their high pressure and warm dense matter applications
Vorberger, Jan;
Smith, Gabriel J.;
van Benschoten, William Z.;
Petras, Hayley R.;
Moldabekov, Zhandos;
Dornheim, Tobias;
Shepherd, James J.
QMC and DFT-MD data for all the figures and additional (unused) DFT-MD data. All input and output files.
Files
(278.9 GB)
| Name | Size | |
|---|---|---|
|
vdw_dftmd.tar.gz
md5:b5e9521725b889922804163ba37ac9ad |
83.6 GB | Download |
|
vdw_goettingen.tar.gz
md5:3188a5c16f67a6c65d55c1f2a31be036 |
127.1 GB | Download |
|
vdw_hzdr.tar.gz
md5:0e239549c0258e9be4e7eed977b5f571 |
6.4 GB | Download |
|
vdw_zih.tar.gz
md5:bce4e9c0b0aae2cf4c2cc047d3464f87 |
61.8 GB | Download |
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- Publication date:
- January 12, 2026
- DOI:
-
- Keyword(s):
- hydrogen liquid-liquid phase transition molecular metallic equation of state van der Waals structure density functional theory
- Related identifiers:
- Identical to:
https://www.hzdr.de/publications/Publ-42734 - Referenced by:
https://www.hzdr.de/publications/Publ-42215 - Communities:
- License (for files):
- Creative Commons Attribution 4.0 International