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Dr. Hendrik Heinz

Assistant Professor

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Force Field Parameters and Models for Layered Silicates

Through the following link, you can download force field parameters and models (.car/.mdf) for the layered silicates mica, montmorillonite, and pyrophyllite, which allow the quantitative simulation of these minerals and their interfacial properties with water, organic molecules, and biopolymers.

The parameters are ready-to-use with PCFF (Polymer Consistent Force Field) and CVFF (Consistent Valence Force Field) and compatible with the CHARMM and GROMACS force fields.

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