Dear sir/madam,
My research interests are mainly about interaction of organic molecules and inorganic surfaces (such as metals and metal oxides). As a fresh man in MD field, I would like ask for help. In order to achieve this simulation, the following method is employed.
MEAM for inorganic bulk (metal or metal oxide) part.
OPLY-AA for organic molecules.
Qeq + Born -Mayer-Huggins for surface interaction between organic molecules and surface inorganic atoms.
I would like to know is this all avaliable for using lammps? Or is there any suggestions for my scheme of research?
Thanks very much for your help!
Looking forward to receive your reply!
Best regards!
Sincerely,
masc