Delves into computational quantum interaction phenomena in materials using high-performance computing, covering N-particle quantum mechanics, ab initio approaches, and the NOMAD Center of Excellence.
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.
Explores classical and quantum mechanics, covering observables, momentum, Hamiltonian, and the Schrödinger equation, as well as quantum chemistry and the Schrödinger's cat experiment.
