Scientific Software Developer @ Schrodinger
PhD, Chemistry, UC Berkeley (2021)
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propdb
propdb PublicA small program to perform diabatization using Gaussian Process Regression.
Python
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qtps
qtps PublicExample of performing a quantum transition path sampling calculation using qdynos
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ToyModelsMD.jl
ToyModelsMD.jl Publicjulia code to simulate a simple molecular dynamics models
Julia
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