{"id":19705975,"url":"https://github.com/llnl/firecat","last_synced_at":"2025-04-29T16:32:25.371Z","repository":{"id":189190500,"uuid":"679916980","full_name":"LLNL/firecat","owner":"LLNL","description":"FireCat","archived":false,"fork":false,"pushed_at":"2024-02-15T22:43:24.000Z","size":6978,"stargazers_count":3,"open_issues_count":0,"forks_count":0,"subscribers_count":3,"default_branch":"main","last_synced_at":"2024-06-15T00:02:48.202Z","etag":null,"topics":["application","electrochemistry","finite-element-methods","microkinetics","multiscale-simulation","python","simulation"],"latest_commit_sha":null,"homepage":"","language":"Jupyter Notebook","has_issues":true,"has_wiki":null,"has_pages":null,"mirror_url":null,"source_name":null,"license":"mit","status":null,"scm":"git","pull_requests_enabled":true,"icon_url":"https://github.com/LLNL.png","metadata":{"files":{"readme":"README.md","changelog":null,"contributing":"CONTRIBUTING.md","funding":null,"license":"LICENSE","code_of_conduct":"CODE_OF_CONDUCT.md","threat_model":null,"audit":null,"citation":null,"codeowners":null,"security":null,"support":null,"governance":null,"roadmap":null,"authors":null}},"created_at":"2023-08-17T23:20:44.000Z","updated_at":"2024-04-17T12:40:43.000Z","dependencies_parsed_at":"2024-01-16T15:43:46.035Z","dependency_job_id":"e411914d-48b7-451a-a96f-113117b567cb","html_url":"https://github.com/LLNL/firecat","commit_stats":{"total_commits":3,"total_committers":2,"mean_commits":1.5,"dds":"0.33333333333333337","last_synced_commit":"3e1c10bde522466ab903acf6f483e4e5ffaef2b0"},"previous_names":["llnl/firecat"],"tags_count":1,"template":false,"template_full_name":null,"repository_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/LLNL%2Ffirecat","tags_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/LLNL%2Ffirecat/tags","releases_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/LLNL%2Ffirecat/releases","manifests_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/LLNL%2Ffirecat/manifests","owner_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/owners/LLNL","download_url":"https://codeload.github.com/LLNL/firecat/tar.gz/refs/heads/main","host":{"name":"GitHub","url":"https://github.com","kind":"github","repositories_count":224179301,"owners_count":17269043,"icon_url":"https://github.com/github.png","version":null,"created_at":"2022-05-30T11:31:42.601Z","updated_at":"2022-07-04T15:15:14.044Z","host_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub","repositories_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories","repository_names_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repository_names","owners_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/owners"}},"keywords":["application","electrochemistry","finite-element-methods","microkinetics","multiscale-simulation","python","simulation"],"created_at":"2024-11-11T21:32:37.843Z","updated_at":"2024-11-11T21:33:08.228Z","avatar_url":"https://github.com/LLNL.png","language":"Jupyter Notebook","funding_links":[],"categories":[],"sub_categories":[],"readme":"# FireCat\n\n[![DOI](https://zenodo.org/badge/679916980.svg)](https://zenodo.org/badge/latestdoi/679916980)\n\nFireCat performs multiscale simulations by coupling ab initio microkinetic simulations from CatMAP with two-dimensional continuum transport simulations from EchemFEM (Firedrake). This coupling is performed in an iterative fashion. The examples provided here are specific to electrochemical CO2 reduction to CO on Au electrodes, producing the results in [Govindarajan et al.](https://doi.org/10.1103/PRXEnergy.2.033010)\n\n## Getting started\n\nPlease install the open-source finite element library [Firedrake](https://www.firedrakeproject.org/download.html).\n\nWithin the firedrake venv, install [EchemFEM](https://github.com/LLNL/echemfem) and this [fork of CatMAP](https://github.com/sringe/catmap-1).\n\nIn order to run the 2D examples, [GMSH](https://gmsh.info) is needed to the create the \u003ctt\u003e`.msh`\u003c/tt\u003e mesh files from the given \u003ctt\u003e`.geo`\u003c/tt\u003e files.\n","project_url":"https://awesome.ecosyste.ms/api/v1/projects/github.com%2Fllnl%2Ffirecat","html_url":"https://awesome.ecosyste.ms/projects/github.com%2Fllnl%2Ffirecat","lists_url":"https://awesome.ecosyste.ms/api/v1/projects/github.com%2Fllnl%2Ffirecat/lists"}