Faster simulations of toxic air particles could boost pollution research

A breakthrough in computer modelling could speed up simulations of how harmful microscopic particles travel through the air—potentially advancing efforts to monitor and reduce air pollution.

Nanoparticles—tiny pollutants found in car exhaust, wildfire smoke, and industrial emissions—are known to cause serious health issues such as strokes, heart disease, and cancer. 

But tracking how these particles move through air has been a major scientific challenge.

Now, researchers from the Universities of Edinburgh and Warwick have developed a new simulation method that’s not only far more accurate but also thousands of times faster. Their work, carried out using the UK’s ARCHER2 supercomputer, could allow simulations that once took weeks to complete to finish in just hours.

At the core of their technique is a novel way to calculate “drag force”—a key factor influencing how particles move. Instead of simulating large swaths of surrounding air, the new method focuses on how air flows around the particle itself, using a refined mathematical model that captures how air disturbances fade over distance. This allows scientists to zoom in closely on the particle without sacrificing accuracy or computing power.

Understanding the movement of these particles—small enough to bypass the body’s natural defences—could lead to more precise air pollution tracking and inform new public health strategies.

Beyond air quality monitoring, the modelling advance could help develop cutting-edge technologies, such as nanoparticles used in targeted drug delivery systems or in highly sensitive environmental sensors.

The study, published in the Journal of Computational Physics, was supported by the UK’s Engineering and Physical Sciences Research Council (EPSRC).

“Airborne nanoparticles are among the most dangerous for human health and also the hardest to simulate,” said lead author Dr Giorgos Tatsios from the University of Edinburgh.

 “Our method lets us model how they behave in complex flows with far greater efficiency—essential for tracking their movement and mitigating their impact.”

Professor Duncan Lockerby from the University of Warwick added: “This technique could revolutionise how we model toxic particle movement, from urban air to the human respiratory system, and even in cleanroom environments and advanced sensor technologies.”