After Beating Physics at Modeling Atoms and Molecules, Machine Learning Is Now Collaborating with It | by LucianoSphere | Dec, 2022
Bringing the best of both worlds togetherPhoto by Toa Heftiba on UnsplashPredicting the structures, motions, and reactivity of atoms, molecules, and materials is crucial in modern science, as they are directly related to their properties and behavior, and hence applications. Traditionally, the study of matter at the atomic level has been approached using physics-based methods, which rely on the principles of either classical or quantum mechanics—depending on the level of detail intended and on the questions asked.…