This repository includes a notebook to run the open-source materials modeling package Quantum Espresso on Google Colab.
☆19Jan 7, 2026Updated 9 months ago
Alternatives and similar repositories for Quantum_Espresso_Colab
Users that are interested in Quantum_Espresso_Colab are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- New version of dft-book for Quantum Espresso☆48Mar 23, 2020Updated 6 years ago
- Esercitazioni DFT con quantum espresso☆15Jun 4, 2024Updated 2 years ago
- Tutorials for Quantum Espresso☆30Aug 18, 2022Updated 4 years ago
- AuRaCh - Automated Radiation Chemistry Simulations☆14Mar 7, 2025Updated last year
- ☆15Feb 5, 2025Updated last year
- Managed hosting for WordPress and PHP on Cloudways • AdManaged hosting for WordPress, Magento, Laravel, or PHP apps, on multiple cloud providers. Deploy in minutes on Cloudways by DigitalOcean.
- Create an ECS environment for a distributed Dagster installation☆12Feb 20, 2024Updated 2 years ago
- Automatic materials characterization of infrared spectra using convolutional neural networks☆17Aug 28, 2023Updated 3 years ago
- A jupyter notebook interface for interactive non-linear model fitting based on lmfit.☆13Feb 14, 2019Updated 7 years ago
- ☆16Jun 13, 2023Updated 3 years ago
- Provides basic data structures and helpful functions for manipulating structures, generating input files, pre-running error checks, etc.☆14Jun 22, 2026Updated 3 months ago
- This repository contains example codes for the book: Quantum ESPRESSO Course for Solid‑State Physics, Jenny Stanford Publishing, New York…☆97Jul 7, 2026Updated 3 months ago
- Fundamentals and Applications of Density Functional Theory with Interactive Live Scripts and Intuitive Codes☆23Jul 25, 2026Updated 2 months ago
- Online resource for introduction to crystallography at Imperial College London (MATE40004)☆14Nov 8, 2022Updated 3 years ago
- CGCNN with personal modifications for defect calculations☆15Jan 19, 2024Updated 2 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.
- GPU-accelerated Quantum ESPRESSO using CUDA FORTRAN☆67Jan 29, 2020Updated 6 years ago
- Quantum ESPRESSO Calculator for Atomic Simulation Environment (ASE).☆17Jul 15, 2023Updated 3 years ago
- Monte Carlo Simulation of SEM Signals using CUDA.☆19Dec 14, 2019Updated 6 years ago
- Simulation package for constructing model band structures and calculate momentum resolved EEELS (low loss region) on the basis of these☆17Apr 8, 2021Updated 5 years ago
- Practical guide on how to use VASP☆28Jul 14, 2020Updated 6 years ago
- Introductory course on the Vienna Ab Initio Simulation Package (VASP) given by Dr. Federico Dattila at the Institute of Chemical Research…☆34Oct 30, 2022Updated 3 years ago
- Self-Supervised Attention-Aware Reinforcement Learning☆19May 20, 2022Updated 4 years ago
- ☆40Oct 3, 2026Updated 2 weeks ago
- A Benchmarking Framework for Crystal GNNs☆22Jan 3, 2024Updated 2 years ago
- Proton VPN Special Offer - Get 70% off • AdSpecial partner offer. Trusted by over 100 million users worldwide. Tested, Approved and Recommended by Experts.
- Benchmark calculations with Quantum Espresso☆19Sep 25, 2024Updated 2 years ago
- band unfolding using quantum espresso☆13Jul 7, 2023Updated 3 years ago
- A Reinforcement Framework for Inverse Design of MOFs☆38Aug 7, 2024Updated 2 years ago
- Draft for my book about implementing density functional theory☆20Mar 18, 2026Updated 6 months ago
- GUIDEMOL: a Python graphical user interface for molecular descriptors based on RDKit☆16Jan 25, 2024Updated 2 years ago
- ☆17Feb 26, 2026Updated 7 months ago
- Python scripts to postprocess Quantum Espresso calclations.☆20Mar 21, 2020Updated 6 years ago
- BEADS: Baseline Estimation And Denoising w/ Sparsity Python version☆26Jan 20, 2022Updated 4 years ago
- ☆18May 31, 2024Updated 2 years ago
- Managed Kubernetes at scale on DigitalOcean • AdDigitalOcean Kubernetes includes the control plane, bandwidth allowance, container registry, automatic updates, and more for free.
- Docs and examples for Quantum-Espresso☆17May 25, 2017Updated 9 years ago
- Loads Princeton Instruments LightField (SPE 3.0) files into a python environment.☆23Jul 19, 2021Updated 5 years ago
- Advanced Quantum ESPRESSO tutorial: Hubbard and Koopmans functionals from linear response☆24Nov 10, 2022Updated 3 years ago
- Notes and tutorials on Density Functional Theory calculation using Quantum ESPRESSO.☆201Sep 5, 2026Updated last month
- Density Functional Theory in real space, for atoms, LDA and LSDA☆31Dec 31, 2025Updated 9 months ago
- Quantum ESPRESSO package for integration into Schrödinger’s Materials Science Suite☆20Jul 1, 2024Updated 2 years ago
- Materials Science Scripts☆13Aug 28, 2025Updated last year