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molsim-2020's Introduction

Fundamentals of Molecular Simulation 2020

All details, homework, and lectures for Molecular Simulation class can be found in this Github repo.

Class

Wednesdays 9:30 am - 11:30 am

Room: MolES 115

Schedule and Syllabus

Week # Date Topic Instructor
Week #1 Jan 8th Introduction to Simulations Prof. Valleau 
Week #2 Jan 15th Github Sarah
Week #3 Jan 22nd Electronic Structure/Quantum Calculations Prof. Valleau
Week #4 Jan 29th Forcefields/Classical MD Chris
Week #5 Feb 5th Simulation Parameters (Thermostat/Barostats/Cutoffs)/Gromacs Xin
Week #6 Feb 12th VMD / Visualization Sarah
Week #7 Feb 19th Parallel Computing Chowdhury
Week #8 Feb 26th Trajectory Analysis (RDF/RMSD/Autocorrelation) Janani
Week #9 March 4th Final Projects Sarah
Week #10 March 11th Master Equations Prof. Valleau

Final Projects due during Finals Week

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