Solve the N-D time-independent Schrödinger equation for a single particle.
☆10Nov 24, 2019Updated 6 years ago
Alternatives and similar repositories for Brooglie
Users that are interested in Brooglie are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Parallel C/Python package for numerical analysis of PAW DFT wavefunctions☆36Nov 2, 2021Updated 4 years ago
- This repository contains neccessary code to train AnisoNet, an equivariant graph neural network for predicting dielectric tensors of crys…☆13Feb 20, 2026Updated 2 months ago
- Calculates self-consistent Fermi level given defect formation energies and the density of states.☆14Jan 15, 2020Updated 6 years ago
- ☆24Jan 20, 2025Updated last year
- Julia codes to play with Phonons☆24Nov 7, 2018Updated 7 years ago
- Open source password manager - Proton Pass • AdSecurely store, share, and autofill your credentials with Proton Pass, the end-to-end encrypted password manager trusted by millions.
- materials science related animations☆13Jan 9, 2025Updated last year
- Julia package to compute trap-assisted electron and hole capture in semiconductors☆57Apr 23, 2026Updated last week
- Feynman's variational path-integral model for the Fröhlich polaron. Calculates temperature dependent polaron mobilities, and other polaro…☆32Mar 4, 2026Updated 2 months ago
- Free energy calculators by Bayesian-inspired nested sampling and other integration techniques☆23Apr 29, 2026Updated last week
- Python package to interact with high-dimensional representations of the chemical elements☆51Updated this week
- NequIP extension package that adapts the Allegro equivariant GNN architecture to predict the electric response of materials☆37Mar 19, 2026Updated last month
- A python based, MPI enabled, Monte-Carlo calculation of 2D system using Metropolis algorithm.☆37Dec 26, 2021Updated 4 years ago
- MaterialsCoord: infrastructure to benchmark crystal structure coordination algorithms☆20Mar 13, 2023Updated 3 years ago
- A set of tools for mapping and analysing the potential-energy surfaces along phonon modes.☆50May 6, 2024Updated 2 years ago
- Managed Database hosting by DigitalOcean • AdPostgreSQL, MySQL, MongoDB, Kafka, Valkey, and OpenSearch available. Automatically scale up storage and focus on building your apps.
- PyDiatomic solves the time-independent coupled-channel Schroedinger equation using the Johnson renormalized Numerov method. This is very …☆16Dec 31, 2025Updated 4 months ago
- Transition Dipole Moments from VASP WAVECAR☆25Oct 2, 2022Updated 3 years ago
- Python bindings for the `buildcell` program for Ab Initio Random Structure Searching (AIRSS)☆19Apr 18, 2026Updated 2 weeks ago
- Calculates various definitions of effective mass from the electronic bandstructure of a semiconductor.☆85May 15, 2025Updated 11 months ago
- A collection of tips, scripts, tools, and files to enable a better workflow for phonon calculations using VASP and phonopy.☆35Aug 19, 2022Updated 3 years ago
- Calculate the required k-point density from the input geometry for periodic quantum chemistry calculations☆23Nov 8, 2022Updated 3 years ago
- Design space subset estimation using Bayesian algorithm execution with sklearn GP models☆25Nov 3, 2024Updated last year
- Post-processing of electron-phonon coupling calculations from Abinit☆16Jan 6, 2021Updated 5 years ago
- ☆49Updated this week
- Deploy open-source AI quickly and easily - Special Bonus Offer • AdRunpod Hub is built for open source. One-click deployment and autoscaling endpoints without provisioning your own infrastructure.
- ☆14Aug 23, 2025Updated 8 months ago
- A pymatgen addon for parsing Quantum ESPRESSO files