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nguyen-group/README.md

Welcome to Interdisciplinary Quantum Materials's Group (i-QM) at Tohoku University

📝 We are a theory-driven experimentation group using first-principles methods, machine learning, and advanced characterization to design and understand quantum materials.

📫 How to reach us: Homepage || Google Scholar || Scopus

🚀 This GitHub contains our codes, examples, and data for our books, codes, and papers:

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  1. QE-SSP QE-SSP Public

    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…

    Pascal 97 34

  2. QERaman QERaman Public

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

    Fortran 21 9

  3. GNNOpt GNNOpt Public

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

    Jupyter Notebook 34 9

  4. JoeyyHuang/QR2-code JoeyyHuang/QR2-code Public

    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 1

  5. MLRaman MLRaman Public

    Rapid Machine Learning–Driven Detection of Pesticides and Dyes Using Raman Spectroscopy

    Jupyter Notebook 7

  6. HyMLRaman HyMLRaman Public

    Hybrid Machine Learning-Assisted Raman Spectroscopy with Generative Feature Augmentation for Pharmaceutical Identification

    Jupyter Notebook