Computational and data sciences are interdisciplinary fields. The advent of computing technology is rapidly transforming how mathematics gets used in these nascent fields and in other aspects of our life. To make numerical simulation a third pillar of scientific and engineering research and to make sense of complex data, we need reliable, informative and predictive computing. Our research focus on the development and analysis of mathematical models across scales, efficient and intelligent computational algorithms and their implementation and applications. We aim at developing reliable and rigorous platform for validating and verifying simulations based research and innovative approaches that can explore and translate simulation data to scientific principles and knowledge.