Repository for material from the 2022 MC/MD Summer Workshop
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
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