Repositories list

• carcara

  Public
  For fermionic quantum simulation

  pythonchemistryphysics+ 6

  pythonchemistryphysicsquantum-computingmaterials-sciencequantum-simulationfermionsvariational-quantum-eigensolvervariational-quantum-algorithms

  Python

  •

  MIT License

  •00 forks•44 stars•00 issues•00 pull requests•Updated Jul 4, 2026Jul 4, 2026

• poraque

  Public
  For density functional calculations

  chemistryphysicsquantum-chemistry+ 2

  chemistryphysicsquantum-chemistrymaterials-scienceelectronic-structure

  Python

  •

  MIT License

  •00 forks•11 star•00 issues•00 pull requests•Updated Jun 25, 2026Jun 25, 2026

• sauva

  Public
  For active learning of interatomic potentials

  Python

  •

  MIT License

  •00 forks•11 star•00 issues•00 pull requests•Updated Jun 11, 2026Jun 11, 2026

• .github

  Public
  README for the Seixas group profile in GitHub

  00 forks•00 stars•00 issues•00 pull requests•Updated May 31, 2026May 31, 2026

• qpesim

  Public
  MIT License

  •00 forks•00 stars•00 issues•00 pull requests•Updated May 27, 2026May 27, 2026

• quasigraph

  Public
  Graph-like chemical and geometric descriptor toolkit for studying materials with machine learning models.

  machine-learningmaterialschemistry+ 4

  machine-learningmaterialschemistrydescriptorphysicsmaterials-informaticscoordination-number

  Python

  •

  MIT License

  •11 fork•33 stars•00 issues•00 pull requests•Updated May 27, 2026May 27, 2026

• oncapintada

  Public
  For the investigation of alloys

  pythonchemistryphysics+ 4

  pythonchemistryphysicsmaterials-sciencematerials-designthermodynamics-modelsmonte-carlo-markov-chain

  Python

  •

  MIT License

  •11 fork•22 stars•00 issues•00 pull requests•Updated Apr 24, 2026Apr 24, 2026

• MLIP_utils

  Public
  Python

  •

  MIT License

  •00 forks•00 stars•00 issues•00 pull requests•Updated Apr 16, 2026Apr 16, 2026

• plusu

  Public
  PLUSU: Automated linear response calculations of Hubbard U parameters using the Cococcioni and de Gironcoli method.

  Python

  •

  MIT License

  •00 forks•00 stars•00 issues•00 pull requests•Updated Apr 3, 2026Apr 3, 2026

• blendpy

  Public
  Computational toolkit for investigating thermodynamic models of alloys using first-principles calculations

  python3thermodynamicsalloy+ 3

  python3thermodynamicsalloymaterials-sciencematerials-informaticsphase-transition

  Python

  •

  MIT License

  •00 forks•33 stars•00 issues•00 pull requests•Updated Apr 3, 2026Apr 3, 2026

• QM9_to_ASE_parser

  Public
  Python

  •

  MIT License

  •00 forks•00 stars•00 issues•00 pull requests•Updated Mar 9, 2025Mar 9, 2025

• siesta-tutorials

  Public
  SIESTA tutorial

  Shell

  •

  MIT License

  •11 fork•00 stars•00 issues•00 pull requests•Updated Mar 8, 2021Mar 8, 2021

• pseudos

  Public
  GNU General Public License v3.0

  •11 fork•00 stars•00 issues•00 pull requests•Updated Feb 26, 2021Feb 26, 2021

• JanusData

  Public
  MIT License

  •00 forks•22 stars•00 issues•00 pull requests•Updated Aug 1, 2020Aug 1, 2020

• siesta-util

  Public
  Fortran

  •

  GNU General Public License v3.0

  •00 forks•00 stars•00 issues•00 pull requests•Updated Jul 15, 2020Jul 15, 2020

• loboc_setup

  Public
  Makefile

  •

  GNU General Public License v3.0

  •00 forks•00 stars•00 issues•00 pull requests•Updated Jul 10, 2020Jul 10, 2020