We will investigate reactive particulate flows using computational fluid dynamics (CFD)-based and molecular dynamics (MD)-based numerical methods. We are particularly focusing on Brownian motion and deposition in complex geometries, turbulent particle deposition in transient aerodynamic settings, and mass transfer and reactions in rarefied multiphase flows. A variety of codes is used to enable tailoring to the specific problem at hand, but the basis is always well-validated and benchmarked commercial or open-source CFD codes and/or MD codes. The long-term goal is to enable faster and more reliable sensors and more energy efficient sustainable multiphase processes.