Complex systems contain inherent dynamical structures which evolve over time by means of interactions between their components. Whether natural or artificial, most complex systems can be modeled by networks. Therefore, complex systems theory is concerned with the study of long-term dynamics of large and heterogeneous networks, with dynamical properties such as self-adaptation, self-organization, and emergence being of particular interest.

Given that complex systems are dynamic, unpredictable, and multidimensional, it is necessary to apply advanced computational techniques in order to analyze their behavior, and to predict their temporal evolution. Recent technological developments have made it possible to study new complex systems in any scientific discipline; for example, the development of big data, the advances in Internet of Things, and the ever-increasing computing capabilities allow for the design, implementation, and validation of new computational methods for modeling, simulating, optimizing, and predicting the evolution of a large variety of biological, technological, physical, and social systems.

This special issue aims to collect original high quality research articles dealing with advanced computational techniques for modeling, optimizing, and simulating complex systems, including predictive analysis. Papers can have a theoretical, methodological, or practical focus, and we especially welcome submissions focused on real-world complex systems. Review articles that provide a comprehensive description of the state-of-the-art in some of the covered topics will be also considered.

Potential topics include but are not limited to the following:

• Modeling complex systems using advanced computational methods
• Simulation of complex systems using computational methods
• Optimization of complex systems using computational methods
• Prediction of the evolution of complex systems using computational methods
• Big data in the study of complex systems
• Internet of Things (IoT) in the study of complex systems
• Multicriteria and multiobjective algorithms applied to complex systems
• Parallel and distributed algorithms applied to complex systems