The added value of theoretical chemistry and physics in the transition to renewable energies
Chemical processes play a key role to technologically sustain the transition to renewable energies.
Computational chemistry and materials science are playing an increasingly important role in elucidating
mechanisms to interpret experimental findings, in guiding experimental efforts, and in predicting materials
properties. This article reviews the current capabilities of computational chemistry and materials science. It
presents illustrative examples and offers a perspective on the current challenges and future development
trends.