Repository for material from the 2022 MC/MD Summer Workshop

Workshop Material

Session	Description and links
Day 1, AM Session 1	High Performance Computing introduction
Day 1, AM Session 2	HPC intro and scaling
Day 1, PM Session 1	MD introduction and water simulations
Day 1, PM Session 2	Simulations, temperature, and pressure
Day 2, AM Session 1	Uncertainty analysis
Day 2, AM Session 2	Initializing simulations, managing force fields
Day 2, PM Session 1	What are force fields?
Day 2, PM Session 2	DEI workshop
Day 3, AM Session 1	Simulation Validation
Day 3, AM Session 2	Bootstrapping
Day 3, PM Session 1	HOOMD and polymers
Day 3, PM Session 2	Simulation of polymers
Day 4, AM Session 1	Metropolis Monte Carlo
Day 4, AM Session 2	Translations and Rotations in Monte Carlo
Day 4, PM Session 1	Monte Carlo Tutorial
Day 4, PM Session 2	Monte Carlo Tutorial
Day 5, AM Session 1	Fragment Sampling
Day 5, AM Session 2	Grand Canonical Monte Carlo
Day 5, PM Session 1	GCMC Tutorial