What is a molecular simulation or the aim ofit? .generating microscopic configurations or trajectories of model systems sampling phase space to determine structural, thermodynamic and transport properties through calculating averages and probabilities pI What are the main methods Molecular dynamics Monte carlo Molecular mechanicsWhat is a molecular simulation or the aim of it? •generating microscopic configurations or trajectories of model systems. •sampling phase space to determine structural, thermodynamic and transport properties through calculating averages and probabilities. What are the main methods: •Molecular dynamics •Monte Carlo •Molecular mechanics