![]() ![]() Parameters and models are understood in-depth for validated compounds and are accompanied by a surface model database to cover critical surface chemistry, such as (hkl) cleavage planes, pH-related surface changes, and common defects for easy customization. We utilize a consistent description of chemical bonding and data-driven validation for compounds across the periodic table that leads to very high accuracy. ![]() ![]() IFF serves the computation-guided discovery of biomaterials and advanced materials. Our team develops an all-atom force field, the Interface Force Field (IFF), and a surface model database for the simulation of nanostructures of 1 to 1000 nm size, including minerals, metals, oxides, and (bio)polymers. ![]()
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