The URL you are looking for has changed. The new URL is:
You will be taken there automatically in 3 seconds. Otherwise, you can click on the link right now.
Using our accurate quantum mechanical calculations, we develop terms to capture the dispersion interactions between molecules and materials interaction with different gases. We have validated the FF with comparisons to the equation of state of each gas or by checking the isotherms for the material and molecules.
We have started the development of force fields that can capture the interactions of molecular machines. The idea is similar to the electron force field where by putting an extra damping function for different electronic state we can capture the different postions for the moving molecule