#### Basics of Molecular Modeling

Understand and be conversant with the basic principles of molecular modeling. These include simple stochastic and deterministic simulations, the fundamental equations of statistical mechanics, computational chemistry, and molecular simulation Understand and be conversant with the basic principles of molecular modeling. These include simple stochastic and deterministic simulations, the fundamental equations of statistical mechanics, computational chemistry, and molecular simulation

#### Relating Molecular Concepts to Observables

Develop an intuitive thinking pattern that relates observable phenomena to molecular concepts

#### Calculate Thermophysical Properties

Be able to calculate a wide variety of thermophysical properties from fundamental molecular concepts using QSPR correlations, computational chemistry, molecular simulation, and statistical mechanics

#### Real Fluid Properties from Simulations

Understand the fundamental relations of statistical mechanics and how to apply them (analytically) to ideal gases and how to use them to evaluate real-fluid properties from molecular simulations

#### Developing, Running, and Interpreting Molecular Simulations

Be able to put together, run, and interpret the results of Monte Carlo and molecular dynamics simulations to study phenomena and/or properties

#### Obtaining Molecular Properties from Quantum Chemistry Calculations

Be able to use modern quantum chemical software to optimize molecular geometries and obtain molecular properties and descriptors using a model chemistry