Rae Grove
Postdoctoral Research Scientist at Los Alamos National Laboratory
Los Alamos, New Mexico, United States
Summary
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Senior🎓
Top SchoolRae Grove is a computational biochemist and postdoctoral research scientist with 11 years of experience developing molecular simulation methods and implicit solvent models for polarizable force fields. She has led development across two software packages, contributing ~25,000 lines of code to the FFX open-source platform, and authored two first-author publications translating methods into usable tools for drug-like compounds, proteins, and nucleic acids. Her PhD work focused on efficient implicit solvents for AMOEBA to bridge accuracy and computational cost, and she has presented her work at national meetings including the Tinker Developer Workshop. Comfortable mentoring and onboarding junior scientists, Rae has a track record of working across multidisciplinary teams to move projects from algorithm design to software implementation and scientific communication. Based in Los Alamos, she blends deep simulation expertise with a practical eye for software engineering and reproducible science.
11 years of coding experience
6 years of employment as a software developer
Doctor of Philosophy - PhD, Biomedical/Medical Engineering, Doctor of Philosophy - PhD, Biomedical/Medical Engineering at University of Iowa
Github Skills (23)
biophysics10
dft9
bioinformatics9
tinker9
computational-biology8
molecular-simulation8
thermodynamics6
recursive6
solver6
parallel5
graph4
intellij-plugin3
rapid3
hpc3
mpi3
Programming languages (4)
Github contributions (5)
rcorrigan/forcefieldx
Mar 2020 - Oct 2023
Force Field X - Software for Molecular Biophysics
Contributions:95 pushes, 1 branch in 3 years 7 months
molecularbioinformaticsfieldforce-fieldforce
rcorrigan/holden-structures
Jan 2015 - Feb 2017
Contributions:10 pushes in 2 years
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