Quantum Mechanics/Molecular Mechanics (QM/MM) – Training Services

Quantum Mechanics/Molecular Mechanics (QM/MM) – Training Services provides participants with comprehensive training on hybrid computational techniques that combine quantum mechanics and molecular mechanics to study complex chemical and biological systems. The course covers QM/MM theory, system partitioning, geometry optimization, reaction pathway analysis, and simulation of enzymatic and molecular interactions. Participants learn to interpret computational results, predict molecular behavior, and integrate QM/MM data with experimental workflows. Emphasis is placed on accuracy, reproducibility, and effective use of hybrid modeling tools to investigate large molecular systems efficiently. Through practical exercises and case studies, learners gain the expertise to apply QM/MM methods for studying reaction mechanisms, biomolecular dynamics, and advanced computational chemistry problems.