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Topics - Varshini

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General Questions and Answers / Potential settings in ATK force field
« on: March 20, 2021, 08:42 »
We are working in the domain of Molecular dynamics simulation. Recently we faced a problem in using Quantum ATK while studying the Acetone adsorption study on the ZnO surface. Force field/Terssoff potential is not given for the system consisting of C, H, O, and Zn elements. In such a case, we need help in providing appropriate parameters for carrying out the MD simulation with potential. 

Thanks and Regards

Sonia T

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