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  • GULP

GULP

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An application program for lattice dynamics calculation of molecules, surfaces, and solids in various boundary conditions. It lays emphasis on analytic calculation of lattice dynamics while it can perform molecular dynamics simulation as well. It supports various force fields to treat ionic materials, organic materials, and metals. It also implements analytic derivatives of the second and third order for many force fields.

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Design of organic structure-directing agents for the synthesis of zeolites with controlled active sites

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  • The Institute for Solid State Physics
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