[lammps-users] gas surface simulation

hi

i am beginner in MD simulation. is it possible to simulate gas surface interaction in LAMMPS. if yes, what is this the potential that can be used for this problem. please give guidelines

regards,
sooraj

Nobody can really tell you what potentials you should use–the problem “gas-surface interaction” is too generic for any kind of guidelines to be provided.

The first thing to look for is if people have studied the system you want to use, and see what potentials they use for that. You can then check if LAMMPS has those potentials available (they’re all listed in the manual).

–AEI

hi

i am beginner in MD simulation. is it possible to simulate gas surface
interaction in LAMMPS. if yes, what is this the potential that can be used
for this problem. please give guidelines

the first thing you should do when starting a new project
and/or learning a new method is to search the literature.
most of the time somebody else has already done something
similar to what you want to do, so you have something to
compare to.

cheers,
    axel.