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Computational Chemistry
Computational chemistry and FEA simulation have become a growing portion of my experiences as an aspiring materials scientist and electrochemical engineer. I have experience with molecular dynamics simulations using LAMMPS, DFT simulations using Q-Chem, as well as FEA simulations with COMSOL, Altair Hyperworks, and CATIA.
Additional Experiences
Polymer Molecular Dynamics Simulation
Dec 2022
Eugene, OR
University of Oregon
Performed molecular dynamics simulations on PEKK using molecular editors, polymer chain populators, and LAMMPS, to measure the phase changes and associate enthalpy changes across a range of temperatures
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