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Research interests

Computational Research in the Hirshberg Lab focuses on three key directions: 1) Developing path integral molecular dynamics (PIMD) simulations that provide quantum expectation values for condensed phase systems at a near-classical cost, with an emphasis on including bosonic and fermionic symmetry. 2) Developing methods to investigate slow chemical transformations, such as protein folding or crystal nucleation and growth, using molecular simulations. 3) Machine-learning collective variables (reaction coordinates) for accelerating molecular dynamics simulations.


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