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Machine Learning and Quantum Alchemy

Short course providing a high-level introduction into machine learning and quantum alchemy methods. Target audience both BSc and MSc level. Requires basic programming skills (in any language).

Day 1: Machine Learning Basics. Covers fundamental principles and key metrics to reliably train models using scikit-learn.
Day 2: Applied Machine Learning. Introduces some learning algorithms and discusses their function using scikit-learn.
Day 3: Quantum Alchemy. Discusses perturbative treatment of quantum chemistry and how to run calculations using pyscf.
Day 4: Explores automatic differentiation for Python using jax and applications to quantum chemistry with dqc.