Browse molecular structures, simulation projects, and force fields shared by the community.
Generic force field based on hybridization-dependent atom typing. Simple and broadly applicable with harmonic bonds, angles, and dihedrals.
Transferable Potentials for Phase Equilibria — United Atom. Coarse-grained force field optimized for vapor-liquid equilibria of hydrocarbons.
Polymer Consistent Force Field. Class 2 with quartic bonds/angles and extensive cross-term couplings. Designed for polymers and organic molecules.
Optimized Potentials for Liquid Simulations — All-Atom. Class 1 force field with geometric combining rules and OPLS-style 4-term Fourier dihedrals.
Modern SMIRNOFF force field from the Open Force Field Initiative. Uses AM1-BCC charges, Fourier dihedrals, and Lorentz-Berthelot combining rules.
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