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M01: Atomistic simulations of materials for energy

Belongs to:
TopicM: Modelling and Simulation

Advances in functional materials are decisive in addressing current challenges for energy conversion and storage technologies. Atomistic computation has reach such a high degree of sophistication that both ab initio quantum methods and classical ones allow us to predict materials properties with good accuracy. These computational techniques provide new perpectives for investigating both energy-harvesting and storage materials.

This symposium will cover all atomistic simulations-based activities (methodological developpements and applications) which contribute to the understanding and the improving of materials for energy such as batteries, fuel cells, photovoltaics, thermoelectric, piezoelectric materials etc. Current progresses in this rapidly moving area will be discussed.