Commit 897b58da authored by Luca Massimiliano Ghiringhelli's avatar Luca Massimiliano Ghiringhelli
Browse files

Update metainfo.json

parent 57094ce3
......@@ -8,30 +8,32 @@
"Scheffler, Matthias"
],
"email": "ghiringhelli@fhi-berlin.mpg.de",
"title": "Error estimates from high-accuracy electronic structure reference calculations",
"title": "Error estimates from high-accuracy electronic-structure reference calculations",
"description": "A set of tools to analyze the error in electronic structure calculations due to the choice of numerical settings. We use the NOMAD infrastructure to systematically investigate the deviances in total and relative energies as function of typical settings for basis sets, k-grids, etc. for 71 elemental and 81 binary solids in three different electronic-structure codes.",
"url": "https://gitlab.mpcdf.mpg.de/nomad-lab/analytics-error-estimates",
"link": "https://analytics-toolkit.nomad-coe.eu/hub/user-redirect/notebooks/tutorials/error_estimates.ipynb",
"link_public": "https://analytics-toolkit.nomad-coe.eu/public/user-redirect/notebooks/tutorials/error_estimates.ipynb",
"link_paper": "https://th.fhi-berlin.mpg.de/site/uploads/Publications/2008.10402.pdf",
"updated": "2020-07-03",
"updated": "2021-01-21",
"flags":{
"featured": true,
"top_of_list": false
},
"labels": {
"application_keyword": [
"Binaries",
"Elemental solids"
],
"application_section": [
"Timely artificial-intelligence applications to Materials Science"
],
"category": [
"advanced_tutorial"
],
"data_analytics_method": [
"Linear Least-squares Regression"
"application_system": [
"Binaries",
"Elemental solids"
],
"ai_methods": [
"Supervised learning",
"Regression"
"Linear least-squares regression"
],
"platform": [
"jupyter"
......
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