Authors: Kyle Hall, Peter Kusalik, Sheelagh Carpendale
Abstract: We present profile contour plots as a technique for representing the 3D energy surfaces encountered in computational chemistry. Profile contour plots are alternative projections of 3D energy surfaces. We explain and illustrate the profile contour plot technique using the 3D free energy surface resulting from a simulation of two hydroxyl radicals in a solvent. Our chemistry collaborator now primarily uses a profile contour plot to discuss this free energy surface instead of other alternative representations.