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q4c-team

https://github.com/marcobarroca/q4c-team

Science Score: 44.0%

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

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    CITATION.cff file
    Found CITATION.cff file
  • ✓
    codemeta.json file
    Found codemeta.json file
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    .zenodo.json file
    Found .zenodo.json file
  • ○
    DOI references
  • ○
    Academic publication links
  • ○
    Academic email domains
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    Institutional organization owner
  • ○
    JOSS paper metadata
  • ○
    Scientific vocabulary similarity
    Low similarity (5.7%) to scientific vocabulary
Last synced: 6 months ago · JSON representation ·

Repository

Basic Info
  • Host: GitHub
  • Owner: MarcoBarroca
  • License: mit
  • Language: Jupyter Notebook
  • Default Branch: main
  • Size: 25.6 MB
Statistics
  • Stars: 0
  • Watchers: 1
  • Forks: 0
  • Open Issues: 0
  • Releases: 0
Created almost 3 years ago · Last pushed over 1 year ago
Metadata Files
Readme License Citation

README.md

deloitte-challenge

GitHub repo for code pertaining the Deloitte's Quantum Climate Challenge 2023.

The code is presented as Jupyter Notebooks, Python scirpts and the data as comma-separated value (CSV) files.

All PySCF classical benchmarks are provided in the PySCFcalculations.ipynb notebook. The VQE simulations and hardware experiments are provided in the VQEcalculations.ipynb notebook and the realhw*.py python scripts inside the folders for each pair, respectively. The importinghwresult notebook retrieves the results from the cloud using their Session and job IDs, The Plots.ipynb notebook takes all the energy-distance pairs generated by the other notebooks and creates the figures used in this report under the Plots_bitmaps/ folder.

The energy-distance data points are available as CSV files in the folders named after each system we studied. Each CSV file contains the Potential Energy Surface values for all methods employed. We also provide CSV files containing the Equilibrium Distance and Binding Energy for all systems simulations, and all methods considered, even those that are not explicitly shown in this report document.

Owner

  • Name: Marco Antonio Barroca
  • Login: MarcoBarroca
  • Kind: user
  • Location: Rio de Janiero,Brazil

PhD candidate @ Centro Brasileiro de Pesquisas Físicas.

Citation (CITATION.cff) 

cff-version: 1.2.0
message: "If you use this software, please cite it as below."
authors:
  - family-names: Barroca
    given-names: Marco Antonio
title: "q-ADPAPT_VQE for MOF toy models"
publisher : GitHub
journal : GitHub repository
howpublished : \url{https://github.com/charlespwd/project-title},
commit : {4f57d6a0e4c030202a07a60bc1bb1ed1544bf679}
date-released: 2023-05-11

GitHub Events

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