Chemistry and Biology

Jon Vandermause

Jon Vandermause is involved in the development of improved force fields for biomolecular simulation. Jon holds a Ph.D. in physics from Harvard University and a B.A. in physics and mathematics from Dartmouth College. In his graduate work, Jon applied Bayesian machine learning methods to automate the construction of force fields for complex materials, including superionic conductors, heterogeneous catalysts, and shape-memory alloys. Jon is also the creator and lead developer of two open source scientific software packages, Fast Learning of Atomistic Rare Events (FLARE), a Numba-accelerated Python package for training machine learned force fields, and FLARE++, a C++ repository for training many-body sparse Gaussian process force fields. In his free time, he enjoys reading, listening to music, playing chess, and rooting for the Green Bay Packers.

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