Day 2

Overview

Today, we introduce the idea of Monte Carlo methods. We will first use Monte Carlo integration to calculate the value of $pi$, using a unit circle. Next, we will start learning about how molecular systems are modeled on a computer. An equation called the “Lennard Jones equation” is commonly used to model non-bonded interactions of molecules. The Lennard Jones equation will be introduced and discussed today.

Lessons

Lesson Title	Objectives	Questions
Intro to Monte Carlo Methods	Explain Monte Carlo methods. Apply Monte Carlo method to calculate pi. Apply Monte Carlo to calculate integrals	What are Monte Carlo methods? How can I use Monte Carlo to estimate pi?
The Lennard Jones Equation	Understand the Lennard Jones potential. Understand periodic boundary conditions.	How can Monte Carlo be applied to a thermodynamic problem? How do we model the interaction of nonbonded atoms?

Discussions and Assignments

• Individual Homework Assignment 1
• Day 2 - Group Assignment