How can one determine the interfacial tension at a solid-liquid interface using molecular dynamics? What are some good articles on this topic?
It would appear that section C of this JCP article is what you are looking for. I see you are affiliated with a university, so you should be able to access that. They seem to be doing this for gas-liquid interfaces, so you will obviously want to start the solid part (in your case) in some lattice configuration depending upon the material you are studying and carry out the simulation accordingly.
Please let me know if this article contains what you were looking for, as I started to write my own molecular dynamics package (aiming towards path integral molecular dynamics for simulation of quantum fluids) but had to put it down to continue with my thesis research for the time being.
What systems are you studying? And under what physical conditions (temp., density, etc..) This might affect the answer to this question and also might dictate what kind of molecular dynamics simulation you will need to use.
Try this publication. I only read the abstract, so I am not sure that it will explicitly show you how to do it with MD, but from the abstract, it claims to give a method for measuring the surface tension between a planar solid face and a liquid.