Data

Tools

Indexes

Applications

Experiments

Open Source Science

downfolding_benchmark_vanadocene

Data for the ab-initio downfolding benchmark project on vanadocene molecule

https://github.com/yueqingchang/downfolding_benchmark_vanadocene

Science Score: 54.0%

This score indicates how likely this project is to be science-related based on various indicators:

  • ✓
    CITATION.cff file
    Found CITATION.cff file
  • ✓
    codemeta.json file
    Found codemeta.json file
  • ✓
    .zenodo.json file
    Found .zenodo.json file
  • ○
    DOI references
  • ✓
    Academic publication links
    Links to: arxiv.org
  • ○
    Academic email domains
  • ○
    Institutional organization owner
  • ○
    JOSS paper metadata
  • ○
    Scientific vocabulary similarity
    Low similarity (1.2%) to scientific vocabulary
Last synced: 6 months ago · JSON representation ·

Repository

Data for the ab-initio downfolding benchmark project on vanadocene molecule

Basic Info
  • Host: GitHub
  • Owner: YueqingChang
  • License: apache-2.0
  • Default Branch: main
  • Size: 3.85 MB
Statistics
  • Stars: 1
  • Watchers: 1
  • Forks: 0
  • Open Issues: 0
  • Releases: 0
Created almost 2 years ago · Last pushed almost 2 years ago
Metadata Files
Readme License Citation

README.md

Downfoldingbenchmarkvanadocene

Data for the ab-initio downfolding benchmark project on vanadocene molecule

The manuscript for this project:

Yueqing Chang, Erik G. C. P. van Loon, Brandon Eskridge, Brian Busemeyer, Miguel A. Morales, Cyrus E. Dreyer, Andrew J. Millis, Shiwei Zhang, Tim O. Wehling, Lucas K. Wagner, Malte Rösner, Downfolding from Ab Initio to Interacting Model Hamiltonians: Comprehensive Analysis and Benchmarking, arXiv:2311.05987

Owner

  • Name: Yueqing Chang
  • Login: YueqingChang
  • Kind: user
  • Location: Urbana, IL
  • Company: University of Illinois

Citation (CITATION.cff) 

cff-version: 1.2.0
message: "If you use this dataset, please cite it as below."
authors:
- family-names: "Chang"
  given-names: "Yueqing"
- family-names: "van Loon"
  given-names: "Erik G. C. P."
- family-names: "Eskridge"
  given-names: "Brandon"
- family-names: "Rösner"
  given-names: "Malte"
type: dataset
title: "DFT+cRPA benchmarking in vanadocene molecule"
version: 1.0.0
doi: 
date-released: 2024-04-29
url: "https://github.com/YueqingChang/Downfolding_benchmark_vanadocene/tree/main"

GitHub Events

Total
Last Year