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☆38Nov 2, 2021Updated 5 years ago
- ☆11Dec 10, 2023Updated 2 years ago
- Calculates self-consistent Fermi level given defect formation energies and the density of states.☆14Jan 15, 2020Updated 6 years ago
- ☆14Mar 19, 2025Updated last year
- ☆12Sep 21, 2026Updated last month
- Managed Database hosting by DigitalOcean • AdPostgreSQL, MySQL, MongoDB, Kafka, Valkey, and OpenSearch available. Automatically scale up storage and focus on building your apps.
- This repository contains neccessary code to train AnisoNet, an equivariant graph neural network for predicting dielectric tensors of crys…☆14Feb 20, 2026Updated 8 months ago
- ☆25Jan 20, 2025Updated last year
- Julia codes to play with Phonons☆25Nov 7, 2018Updated 7 years ago
- materials science related animations☆13Jan 9, 2025Updated last year
- Symbolic computations with second quantized operators☆13Oct 22, 2026Updated last week
- PyDiatomic solves the time-independent coupled-channel Schroedinger equation using the Johnson renormalized Numerov method. This is very …☆16Dec 31, 2025Updated 10 months ago
- Julia package to compute trap-assisted electron and hole capture in semiconductors☆61Aug 27, 2026Updated 2 months ago
- ☆18Mar 24, 2025Updated last year
- Feynman's variational path-integral model for the Fröhlich polaron. Calculates temperature dependent polaron mobilities, and other polaro…☆36May 27, 2026Updated 5 months ago
- 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.
- Free energy calculators by Bayesian-inspired nested sampling and other integration techniques☆22Oct 27, 2026Updated last week
- A python based, MPI enabled, Monte-Carlo calculation of 2D system using Metropolis algorithm.☆39Dec 26, 2021Updated 4 years ago
- Python package to interact with high-dimensional representations of the chemical elements☆52Oct 4, 2026Updated last month
- MaterialsCoord: infrastructure to benchmark crystal structure coordination algorithms☆21Mar 13, 2023Updated 3 years ago
- A set of tools for mapping and analysing the potential-energy surfaces along phonon modes.☆51May 6, 2024Updated 2 years ago
- Querying databases, Organizing and Plotting Data: Query Pymatgen for properties like Young's modulus and melting temperature Organize dat…☆17Aug 18, 2021Updated 5 years ago
- Transition Dipole Moments from VASP WAVECAR☆25Oct 2, 2022Updated 4 years ago
- Python bindings for the `buildcell` program for Ab Initio Random Structure Searching (AIRSS)☆22Oct 23, 2026Updated last week
- Calculate the required k-point density from the input geometry for periodic quantum chemistry calculations☆23Nov 8, 2022Updated 3 years ago
- 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.
- Calculates various definitions of effective mass from the electronic bandstructure of a semiconductor.☆86May 11, 2026Updated 5 months ago
- Design space subset estimation using Bayesian algorithm execution with sklearn GP models☆25Nov 3, 2024Updated 2 years ago
- A collection of tips, scripts, tools, and files to enable a better workflow for phonon calculations using VASP and phonopy.☆35Aug 19, 2022Updated 4 years ago
- Post-processing of electron-phonon coupling calculations from Abinit☆16Jan 6, 2021Updated 5 years ago
- VASP Integrated Supporting Environment☆29Sep 17, 2026Updated last month
- The documentation site for TDEP.☆28Aug 17, 2023Updated 3 years ago
- A Julia package for Matrix-Product State (MPS)-based time-series analysis.☆25Oct 20, 2026Updated 2 weeks ago
- Phonon anharmonicity analysis from molecular dynamics☆143Updated this week
- Dealing with slabs for first principles calculations of surfaces☆71Sep 17, 2023Updated 3 years ago
- Wordpress hosting with auto-scaling - Free Trial Offer • AdFully Managed hosting for WordPress and WooCommerce businesses that need reliable, auto-scalable performance. Cloudways SafeUpdates now available.
- A code for generating irreducible site-occupancy configurations☆56Dec 19, 2023Updated 2 years ago
- This is a simple handbook for GPGPU computing☆29Apr 17, 2025Updated last year
- DefAP is a program developed to facilitate the exploration of a material's defect chemistry. A large number of features are provided and …☆22Apr 30, 2025Updated last year
- ☆14Aug 23, 2025Updated last year
- Material of the seminar "Julia for Materials Modelling"☆31Jun 23, 2023Updated 3 years ago
- 2D 3D Time independent FDM Schrodinger equation solver for arbitrary shape of well☆31Sep 1, 2022Updated 4 years ago
- A multipurpose Fortran2003+MPI suite of codes for the simulation of spin dynamics at the atomistic level. The code is developed to readil…☆14Jul 16, 2025Updated last year