Multiscale investigation of materials, both theoretical/computational and experimental, is becoming critical for understanding materials behavior during synthesis, processing and utilization in various energy systems. Atomistic computation has reached such a high degree of sophistication that both ab initio quantum methods and classical ones allow us to predict materials properties with good accuracy. On the counterpart multiscale simulations are at their premises and need further developments. These computational techniques provide new perspectives for investigating both energy-harvesting and storage materials. This symposium focuses on multiscale studies of energy materials from the atomic to the mesoscale levels. It aims to bring together researchers from academia, laboratories and industries around the world to discuss recent progresses in modeling and characterization of energy materials at the atomic and mesoscale levels and disseminate the recent knowledge in this area. The topics will cover a wide variety of applications in the fields of batteries, fuel cells, photovoltaics, piezoelectrics, high temperature materials and materials for adsorption and catalytic systems.