Free Energy Calculations

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Skill or Expertise

Free energy provides a unifying framework for understanding why certain structures form while others do not. It captures the balance between energetic interactions and molecular disorder. Our lab uses computational approaches to estimate effective free energies in complex macromolecular systems. These calculations allow us to compare competing structures, pathways, and assembly outcomes. By focusing on effective rather than idealized descriptions, we connect molecular detail to experimentally relevant behavior. This expertise enables predictive insights into stability, assembly, and material performance.