The mission of the Institute is to develop both fundamental and applied research, together with advanced training, in order to consolidate the institute as a center of scientific research with a proven national and international reputation. Activities are aimed at maintaining ICCOM at the forefront in the following fields of scientific research in the molecular sciences:

a) new sustainable chemical processes with high efficiency and selectivity through the optimization of existing catalytic processes and stoichiometry, and through the implementation of new processes;

b) The application of electrocatalysis and photocatalysis in the energy sector, particularly in the field of fuel cells and hydrogen production;

c) Hydrogen chemistry and technology: production, storage and exploitation in fuel cells;

d) Photovoltaic solar cells: organic and organometallic compounds for new generation solar cells;

e) CO2 chemistry and technology: valorisation (CCU) and capture (CCS) processes;

f) Organic, inorganic and hybrid polymeric materials with specific functional properties. Synthesis, characterization and post functionalization;

g) Advanced analytical and spectroscopic techniques for the environment, health and for the conservation of the artistic and cultural heritage;

h) Design and development of specialized scientific instrumentation;

i) Theoretical and computational chemistry for the predictive modeling.

ICCOM ranked 1st in 2010 internal CNR evaluation for Chemistry institutes and confirmed its excellence in the 2015 evaluation.