Tutorial Lecture:
Structural descriptors and atomic cluster expansion basis
Dr. Anton Bochkarev – Ruhr-Universität Bochum, Germany
Link to Google Colab: https://colab.research.google.com/drive/1avJoULLhrGGPQdLdMlb73vkCe41v7sCW
Tutorial Lecture:
Materials structure-property mapping with kernel-based methods
Dr. Milica Todorović – Turku University, Finland
Links to Google Colab:
Introduction to KRR: https://colab.research.google.com/drive/12eV4CJctJYbITM1YwqAnn-Yn0z8hsYKz?usp=sharing
Introduction to GPR
https://colab.research.google.com/drive/1HbvBmNjTdHPsn6ZxvG6ejn-tnJ2Podhk?usp=sharing
Introduction to BO
https://colab.research.google.com/drive/1vOCULuq_l_IjiC3JRgtvgQUIPRQX-J_r?usp=sharing
BO structure search
https://colab.research.google.com/drive/1pUpxgM17vpcEtd1gge5Z15EeP38yxc0a?usp=sharing
Tutorial Lecture:
Data-manifold characterisation: Estimating intrinsic dimension, density, and density peaks with DADApy
Dr. Aldo Glielmo – SISSA and Banca d’Italia, Italy
Links to Google Colab:
Tutorial 0: Visualising the curse of dimensionality https://colab.research.google.com/drive/1v7hE2Vy8H2yqhb_6A3Aw5_Y2pFDSH_TG?usp=sharing
Tutorial 1: Intrinsic dimension estimation https://colab.research.google.com/drive/1tW6PsTOiWfDFqi5mIV2k9l7zSvsvTaLW?usp=sharing
Tutorial 2: Density and density peaks estimation https://colab.research.google.com/drive/1eOZLPr-sEegujRSYNQ20JL52_LEDwLko?usp=sharing
Link to optional dataset:
Tutorial 3: Free experimentation with DADApy. https://drive.google.com/drive/folders/1zmVYwNCbnpMtlRFnplZB4pYWmxLdG1cG?usp=sharing
Tutorial Lecture:
Training neural network potentials with PANNA
Dr. Franco Pellegrini – SISSA, Italy
Link to Google Colab:
https://bit.ly/ML4M22PANNA