ForceBalance : Automatic Optimization of Force Fields and Empirical Potentials Public Forum

Automatic force field optimization. Given a force field and a set of reference data (e.g. energies and forces from QM calculations, experimental measurements), we tune the force field parameters such that it accurately reproduces the reference data.
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ForceBalance : Automatic Optimization of Force Fields and Empirical Potentials Public Forum

Post by SimTK Admin » Tue Dec 20, 2011 12:48 pm

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