📝 We, a theoretical group at National Taiwan University, focus on solid-state theory, simulation, and machine learning for quantum materials.

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1. QE-SSPQE-SSPPublic

   This repository contains example codes for the book: Quantum ESPRESSO Course for Solid‑State Physics, Jenny Stanford Publishing, New York, 372 Pages (2022) by N. T. Hung, A. R. T. Nugraha and R. Sa…

   Roff 70 30

2. QERamanQERamanPublic

   A open-source program for computing the first-order resonance Raman spectroscopy based on Quantum ESPRESSO

   Fortran 19 6

3. Neural_Networks_with_PythonNeural_Networks_with_PythonPublic

   This repository includes the examples for the hands-on tutorials of the artificial neural networks by using Python.

   Jupyter Notebook 4 1

4. GNNOptGNNOptPublic

   Universal Ensemble-Embedding Graph Neural Network for Direct Prediction of Optical Spectra from Crystal Structures

   Jupyter Notebook 31 8

5. JoeyyHuang/QR2-codeJoeyyHuang/QR2-codePublic

   An open-source code to compute the Resonant Raman spectrum including single, double and defect-induced double resonant Raman, based on first-principles calculation

   Fortran 3