A tool for calculating topological invariants.

⚛️📈 Create and analyze chemical microkinetic models built from computational chemistry data. Crafted at the @geem-lab.

Database server written from scratch

many-body perturbation theory without empty states

Utilities for ab initio modeling suite CRYSTAL, developed in Turin University

⚛️📈 Create and analyze chemical microkinetic models built from computational chemistry data

Training an artificial neural network using back-propagation on MNIST dataset

✅A minimal Node.js, Express.js, and SQLite backend with JWT authentication, serving a Todo app frontend. A first-principles demo of core full-stack development concepts!

T4ME - Transport 4 MatErials - A code to calculate the charge transport in materials, from analytic models and ab-initio

This code computes the nonradiative recombination at defect centers from first-principles

Electronic transport of devices with random defects and inelastic scattering.

PhOnonS ITeratIVE VIBRATIONS - for vibrational and electron-phonon coupling analysis via first-principles.

General assortment of useful tutorials for first-principles calculations

Zero Field Splitting Code Repository

This code is built from the original NanoGW code written by M. Tiago. New experimental features (such as interpolative separable density fitting method) are added to accelerate calculations.

ASE interface for Quantum Espresso

Collection of selected cryptographic algorithms implemented in Rust 🦀.

First principles photoluminescence code repository

Know about First Principles Thinking