Introduces path integral molecular dynamics and its applications in quantum mechanics, focusing on nuclear quantum effects and their implications for molecular simulations.
Explores Car-Parrinello molecular dynamics, a unified approach combining molecular dynamics and density-functional theory for simulating various systems, with a focus on historical background, technical details, and challenges in atomistic simulations.
Covers classical force fields, molecular dynamics simulations, and supramolecular properties, including intramolecular and intermolecular interactions.
Covers elastic scattering of fast electrons and their interactions with matter, including the derivation of the Mott formula and effective refractive index.
Provides an overview of the electron's role in quantum science, focusing on its wave-particle duality and the mathematical framework of quantum mechanics.
