Hello Every one
I am using ReaxFF to run the molecular dynamics simulation for different systems of interest. But I am facing problem to find the empirical force field parameters for Olivine phosphate family and for the inner transition materials specifically . I am also confused to complete understand the force field (.ff) files that are used to run the simulations.
can anyone help me to search these parameters and to build the .ff file.
a sample of such file is attached please help me in this regard.
For such exotic elements, it's better to try to solve your problem with the DFTs, ...
Very Respected @Dr Jean-Numa Gillet, Thank yo so much for your response. I appreciate your recommendation. But i want to ask what best you can suggest to build the Reactive FF files, for such materials
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