Interatomic potentials for modelling the intermolecular forces between organic molecules, pharmaceuticals and biomolecules – Prof Sally Price, UCL Abstract: An accurate intermolecular potential should ...

PES describe how the potential energy of a system of molecules varies with their relative positions, effectively mapping the ‘landscape’ of interatomic forces.

Interatomic potentials have been proposed ever since scientists know atoms exist and tend to gather, without collapsing together. Attraction and repulsion, first by pairs but also via many-body ...