A tool for calculating topological invariants.
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Dec 2, 2024 - Python
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first-principles
Here are 27 public repositories matching this topic...
⚛️📈 Create and analyze chemical microkinetic models built from computational chemistry data. Crafted at the @geem-lab.
python cli automation library dsl modeling first-principles computational-chemistry reactions chemical-kinetics thermochemistry overreact microkinetics in-silico quantum-tunneling rrho computational-chemistry-logfiles qrrho
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Dec 20, 2024 - Python
Database server written from scratch
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Feb 25, 2023 - Go
Utilities for ab initio modeling suite CRYSTAL, developed in Turin University
crystal first-principles crystallography gaussian computational-chemistry crystal-structure materials-science atomistic-simulations abinitio-simulations abinitio computational-materials crystal-ab-initio gaussian-lcao emsl
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Apr 1, 2024 - Python
many-body perturbation theory without empty states
physics first-principles computational-physics solid-state-physics many-body-perturbation-theory linear-response
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Jul 6, 2018 - Fortran
Training an artificial neural network using back-propagation on MNIST dataset
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Oct 27, 2018 - MATLAB
⚛️📈 Create and analyze chemical microkinetic models built from computational chemistry data
python cli website automation library dsl guide modeling first-principles computational-chemistry reactions chemical-kinetics thermochemistry overreact microkinetics in-silico quantum-tunneling rrho computational-chemistry-logfiles qrrho
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Jan 4, 2023 - Jupyter Notebook
T4ME - Transport 4 MatErials - A code to calculate the charge transport in materials, from analytic models and ab-initio
first-principles electronic vasp transport boltzmann charge ab-initio lorenz resistivity pythtb seebeck
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Nov 21, 2019 - Python
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May 18, 2023 - C++
Electronic transport of devices with random defects and inelastic scattering.
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Jul 19, 2019 - Fortran
✅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!
nodejs api boilerplate backend sqlite expressjs first-principles full-stack jwt-authentication nodejs-experimental
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Oct 18, 2024 - CSS
This code computes the nonradiative recombination at defect centers from first-principles
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Jun 26, 2024 - Python
PhOnonS ITeratIVE VIBRATIONS - for vibrational and electron-phonon coupling analysis via first-principles.
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Jul 19, 2019 - C
General assortment of useful tutorials for first-principles calculations
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May 12, 2024 - Python
Collection of selected cryptographic algorithms implemented in Rust 🦀.
rust cryptography aes first-principles rsa sha-256 learn secp256k1 diffie-hellman-key miller-rabin-test elliptic-curve-cryptography
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Dec 23, 2023 - Rust
Zero Field Splitting Code Repository
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Aug 30, 2023 - Fortran
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.
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Oct 29, 2018 - Fortran
First principles photoluminescence code repository
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Dec 17, 2024 - Python
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