Mathematical modeling and data assimilation for better understanding of chemical reaction networks in catalysis

The dynamics of Chemical Reaction Networks (CRN), which are typically embedded within Mass and Energy Transport Phenomena such as diffusion or advection, govern the performance of innumerable industrial technologies.

Catalysis – the focal point of our research – is the core technology for converting raw materials into chemicals and fuels on an enormous scale and, as such, critical for global sustainability. In order to better understand and optimize catalytic processes, we utilize a diverse range of materials and reactions characterization tools that produce highly heterogeneous datasets.

Tags: Data fusion/integration, Data structures/architectures, Databases, Dimensionality reduction, Dynamical systems and differential equations, Estimation theory, Graph theory, Hierarchical modeling, Knowledge representation, Model selection, Nonlinear dynamics, Numerical analysis, Probabilistic programming, Software framework development, Stochastic mathematical modeling, Time series, Uncertainty quantification, Computational mathematics and sciences
Published June 22, 2023 12:19 PM - Last modified Oct. 23, 2023 11:53 AM