Dear all,

Hello! I hope you are looking forward to a delightful weekend ahead.

I would like to inquire about the possibility of calculating surface tension using Forcite-MD in Materials Studio. I am aware that it relates to properties such as contact angle and viscoelasticity, but I am interested in understanding which parameters should be configured and how to proceed with such calculations.

Additionally, I came across a method in a paper for calculating surface tension, specifically related to the solvation of NaCl, and I am curious whether this approach can be generalized to all systems. (https://doi.org/10.5194/acp-18-17077-2018)

In this method, σMD represents the surface tension in the presence of dissolved NaCl, Lz​ refers to the cell length in the z-direction, and Paa indicates the pressure tensor along each axis.

Thank you always for your support.

Best regards,
Rakhoon Choi