Retrieving "Biomolecule" from the archives

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1. Potential Energy Surface

   Linked via "biomolecules"

   Force Fields and Empirical Potentials
   For large systems (e.g., biomolecules or condensed phases), calculating the full electronic structure at every step is prohibitive. Instead, empirical force fields parameterize the potential energy using functional forms based on classical mechanics, fitting known geometries and spectroscopic data. A typical [Lennard-Jones-Coulomb potential](/en…