How to convert Ti3C2 Materials Studio .car file using a Universal Force Field to msi2lmp, since msi2lmp does not support universal force field class?

22 June 2022 1 6K Report

Hi, I am using materials studio for Ti3C2 and the universal forcefield. Unfortunately, msi2lmp does not support universal force field class. Do you have any suggestions to obtain a data file for this Ti-C structure. (P.S. cvff does not support Ti)

Khaled Badawy

If you are looking for a simple but accurate forcefield for Ti3C2. check this: Article Thermal stability of two-dimensional titanium carbides Tin+1...

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