Computational engineers virtually investigate and optimize engineering systems and processes. At iRMB our research focuses on the modeling of advanced materials and transport processes as well as on the solution of the resulting partial differential equations by means of advanced and efficient numerical methods utilizing high-performance computing (HPC) approaches. Our key approach for modeling transport phenomena is based on kinetic methods, namely the Lattice Boltzmann method (LBM). Furthermore, modeling engineering systems and processes by traditional physics-based approaches is complemented by scientific machine learning methods aiming to improve these models by means of big data. Our mission is to do sustainable research which is why we implement and develop principles and best-practices in research software engineering and research data-management.