Site Scientific Lead, Network of Computational Nanotechnology (NCN) at NU
Like a topographic map that shows changes in elevation of terrain, an electron density map reveals areas of high and low electronic charge distribution within a molecule. This information allows chemists to draw conclusions about the internal structure of the molecule and to make predictions about how they may react to form new compounds. This information can be helpful in the design of drugs, renewable energy sources, chemical sensors, energy storage, etc. Dr. Tejerina’s image shows the 3D electron density map of a molecule composed of carbon atoms (large concentric circles) and hydrogen atoms (small concentric circles).