The conference welcomes papers in the following main themes.

1. Theories and Methodologies – any new methods, algorithms, sampling techniques, first-principle or empirical force fields.
2. Soft matter – studies on amorphous states such as liquids, solutions, polymers, colloids, and interfaces.
3. Solid state materials – simulation involving metals, semiconductors, zeolites, ceramics, and surface or interfaces of these materials.
4. Biological and Pharmaceutical Systems – simulations on biological systems such as protein folding and drug-design.
5. Nanotechnologies – studies on nanomaterials
6. Industrial applications – simulations addressing industrial-relevant problems.