Lecture
This lecture introduces the Hybrid Quantum Mechanics/Molecular Mechanics (QM/MM) Approaches, covering topics such as partitioning the system, typical forms of MM potential, and practical implementation of QM/MM simulations. It explains the additive and subtractive schemes, the QM driver, and the QM/MM electrostatic interaction. The lecture also discusses the practical implementation of QM/MM simulations, the structure of the CPMD input file, and the importance of QM/MM consistency in electrostatics.