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correlation_function
correlation_function PublicPython program to generate random 1D potential energy surfaces, perform classical MD trajectories, and calculate the exact Kubo correlation function and classical position auto-correlation functions.
Python 1
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rpfr_calculator
rpfr_calculator PublicForked from acse-dp1820/rpfr_calculator
Public facing repository for my ACSE MSc research project (https://github.com/acse-dp1820/rpfr_calculator)
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undergraduate-work
undergraduate-work PublicAssignments from my Computational Chemistry module during my studies leading towards my BSc in Chemistry at the University of Warwick.
Jupyter Notebook 2
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