first-principles

geem-lab/overreact

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

dynajoe/tinydb

Database server written from scratch

QEF/SternheimerGW

many-body perturbation theory without empty states

tilde-lab/pycrystal

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

geem-lab/overreact-guide

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

parthendo/Digit-Recognition-ANN

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

espenfl/t4me

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

KAIST-ELST/DMFTpack

brandimarte/idisorder

Electronic transport of devices with random defects and inelastic scattering.

brandimarte/vibrations

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

jamezmca/backend-first-principles

✅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!

Ping-Group-UCSC/NonRad

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

0xphen/crypto-algo-rs

Collection of selected cryptographic algorithms implemented in Rust 🦀.

gwwfromcs/NanoGW_optimized

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.

Ping-Group-UCSC/Tutorials

General assortment of useful tutorials for first-principles calculations

yw-fang/ase-espresso

ASE interface for Quantum Espresso

cedrickchee/learn-software-internals

Learn software internals by building your own project from scratch.

fenning-research-group/DBL

Detailed Balance Limit for PV

Ping-Group-UCSC/PL-lineshape-code

First principles photoluminescence code repository

Ping-Group-UCSC/zfs-code

Zero Field Splitting Code Repository

thetentomushi/first-principles-thinking

Know about First Principles Thinking

peferron/nand2tetris

Build a modern computer from first principles.

Ping-Group-UCSC/random-walk-polaron-mobility

Random walk simulation of polaron hopping via kinetic monte carlo sampling

sanjar-notes/backend

Backend web development fundamentals

zychosen/nand2tetris

Implementation of nand2tetris projects

davedx/aerine

Aerine is an attempt to create a new web framework from first principles