This project will aim to develop a user-friendly computer program that quantifies statistical errors in molecular dynamics averages (which is a computer simulation method for analyzing the physical movements of atoms and molecule systems) and using that model to calibrate further experiments. The sub goals involved in this are developing the base model for statistical testing, recording test runs and referencing outputs, writing the documentation for the program, writing a paper that justifies and explains the methods chosen, and lastly, if possible, calibrating experiments based on the model.
The deliverables include:
Code for the program
Test runs & Referencing output,
User manual
Paper that describes/justifies the implementation and describes implications
This is video details an overview of my project: