Ecosyste.ms: Repos

An open API service providing repository metadata for many open source software ecosystems.

GitHub topics: first-principles

Z2PackDev/Z2Pack

A tool for calculating topological invariants.

Language: Python - Size: 193 MB - Last synced: 6 days ago - Pushed: 6 days ago - Stars: 81 - Forks: 51

espenfl/t4me

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

Language: Python - Size: 31.7 MB - Last synced: 4 days ago - Pushed: over 4 years ago - Stars: 4 - Forks: 5

Ping-Group-UCSC/Tutorials

General assortment of useful tutorials for first-principles calculations

Language: Python - Size: 319 MB - Last synced: 27 days ago - Pushed: 27 days ago - Stars: 2 - Forks: 0

geem-lab/overreact

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

Language: Python - Size: 96.3 MB - Last synced: about 1 month ago - Pushed: about 1 month ago - Stars: 48 - Forks: 7

peferron/nand2tetris

Build a modern computer from first principles.

Language: JavaScript - Size: 89.8 KB - Last synced: about 2 months ago - Pushed: almost 8 years ago - Stars: 0 - Forks: 1

geem-lab/overreact-guide

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

Language: Jupyter Notebook - Size: 3.95 MB - Last synced: about 1 month ago - Pushed: over 1 year ago - Stars: 6 - Forks: 2

dynajoe/tinydb

Database server written from scratch

Language: Go - Size: 311 KB - Last synced: about 2 months ago - Pushed: over 1 year ago - Stars: 13 - Forks: 2

0xphen/crypto-algo-rs

Collection of selected cryptographic algorithms implemented in Rust 🦀.

Language: Rust - Size: 6.08 MB - Last synced: 6 months ago - Pushed: 6 months ago - Stars: 0 - Forks: 0

tilde-lab/pycrystal

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

Language: Python - Size: 309 KB - Last synced: 2 months ago - Pushed: 4 months ago - Stars: 10 - Forks: 1

sanjar-notes/backend

Backend web development fundamentals

Size: 4.96 MB - Last synced: 6 months ago - Pushed: 6 months ago - Stars: 0 - Forks: 0

bhavyagada/browser

Implementing a simple web browser to understand how they work.

Language: Python - Size: 0 Bytes - Last synced: 9 months ago - Pushed: 9 months ago - Stars: 0 - Forks: 0

Ping-Group-UCSC/zfs-code

Zero Field Splitting Code Repository

Language: Fortran - Size: 19.7 MB - Last synced: 9 months ago - Pushed: 9 months ago - Stars: 0 - Forks: 0

Ping-Group-UCSC/PL-lineshape-code

First principles photoluminescence code repository

Language: Python - Size: 3.08 MB - Last synced: 4 months ago - Pushed: 4 months ago - Stars: 0 - Forks: 1

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

Random walk simulation of polaron hopping via kinetic monte carlo sampling

Language: C++ - Size: 1.72 MB - Last synced: 9 months ago - Pushed: 9 months ago - Stars: 0 - Forks: 0

Ping-Group-UCSC/NonRad

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

Language: Python - Size: 1.32 MB - Last synced: 10 months ago - Pushed: about 3 years ago - Stars: 1 - Forks: 0

fenning-research-group/DBL

Detailed Balance Limit for PV

Language: Jupyter Notebook - Size: 1.44 MB - Last synced: 4 months ago - Pushed: 12 months ago - Stars: 1 - Forks: 0

cedrickchee/learn-software-internals Fork of codecrafters-io/build-your-own-x

Learn software internals by building your own project from scratch.

Size: 783 KB - Last synced: about 2 months ago - Pushed: about 2 years ago - Stars: 0 - Forks: 0

QEF/SternheimerGW

many-body perturbation theory without empty states

Language: Fortran - Size: 12.6 MB - Last synced: over 1 year ago - Pushed: almost 6 years ago - Stars: 9 - Forks: 4

growthbeing/first-principles-thinking

Know about First Principles Thinking

Size: 1.95 KB - Last synced: about 1 year ago - Pushed: over 1 year ago - Stars: 0 - Forks: 0

parthendo/Digit-Recognition-ANN

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

Language: Matlab - Size: 48.6 MB - Last synced: over 1 year ago - Pushed: over 5 years ago - Stars: 6 - Forks: 6

brandimarte/idisorder

Electronic transport of devices with random defects and inelastic scattering.

Language: Fortran - Size: 1.27 MB - Last synced: over 1 year ago - Pushed: almost 5 years ago - Stars: 3 - Forks: 0

KAIST-ELST/DMFTpack

Language: C++ - Size: 4.68 MB - Last synced: about 1 year ago - Pushed: about 1 year ago - Stars: 3 - Forks: 1

brandimarte/vibrations

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

Language: C - Size: 881 KB - Last synced: over 1 year ago - Pushed: almost 5 years ago - Stars: 3 - Forks: 1

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.

Language: Fortran - Size: 382 KB - Last synced: over 1 year ago - Pushed: over 5 years ago - Stars: 2 - Forks: 0

davedx/aerine

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

Language: JavaScript - Size: 3.85 MB - Last synced: 8 days ago - Pushed: about 6 years ago - Stars: 0 - Forks: 0

yw-fang/ase-espresso Fork of vossjo/ase-espresso

ASE interface for Quantum Espresso

Language: Python - Size: 222 KB - Last synced: about 1 year ago - Pushed: about 7 years ago - Stars: 1 - Forks: 0

Related Keywords
first-principles 26 python 4 computational-chemistry 3 chemical-kinetics 2 cli 2 computational-chemistry-logfiles 2 dsl 2 in-silico 2 library 2 microkinetics 2 modeling 2 overreact 2 qrrho 2 quantum-tunneling 2 reactions 2 rrho 2 thermochemistry 2 computer-science 2 automation 2 tutorials 2 electron-phonon 2 solid-state-physics 2 javascript 1 programming 1 learning-by-doing 1 from-scratch 1 shockley-queisser-limit 1 pv 1 detailed-balance-limit 1 recombination 1 nonradiative 1 random-walk 1 polaron 1 constructs 1 internet 1 protocols 1 rest-api 1 theory 1 web 1 browser 1 python3 1 zero-field-splitting 1 photoluminescence 1 monte-carlo 1 innovation 1 framework 1 accelerate-calculations 1 vibrational-analysis 1 electron-phonon-coupling 1 strongly-correlated-systems 1 dynamical-mean-field-theory 1 condensed-matter-physics 1 negf 1 electronic-transport 1 disorder 1 mnist-dataset 1 mnist 1 matlab 1 backpropagation-algorithm 1 problem-solving 1 physics 1 many-body-perturbation-theory 1 linear-response 1 computational-physics 1 software-internal 1 cryptography 1 aes 1 server 1 parser 1 database 1 binary-data 1 website 1 guide 1 nand2tetris 1 computer-architecture 1 vasp 1 transport 1 seebeck 1 resistivity 1 pythtb 1 lorenz 1 electronic 1 charge 1 boltzmann 1 ab-initio 1 topological-numbers 1 tight-binding 1 backend 1 abstract 1 materials-science 1 gaussian-lcao 1 gaussian 1 emsl 1 crystallography 1 crystal-structure 1 crystal-ab-initio 1 crystal 1 computational-materials 1 atomistic-simulations 1 abinitio-simulations 1