This page is intended to archive and disseminate the course materials from our Molecular Modeling Workshop.

May 24, 2016 Lecture Materials

May 24, 2016 Lecture Video

May 26, 2016 Lecture Video

June 2, 2016 Lecture Video

June 7, 2016 Lecture Video

Learning About Molecular-based Property Estimation – A Mini-tutorial on Molecular Dynamic Simulation

Video 1 – Molecular Modeling – Scope and General Instructions

Video 2 – Introduction to Molecular Dynamics

Video 3 – Introduction to Materials Studio

Video 4 – Practical Example 1, Calculating the Free Energy of Chemical Reaction (Thermodynamic Property Estimation)

Video 5 – Practical Example 2 , Predicting the Diffusivity of Gas in a Polymer