The advancement of heterogeneous catalysis is limited by our understanding of the synergy between the different components of a reaction in progress. Multiscale modelling promises to address the need ...

A chemical engineer is being recognized for his achievements in changing the way scientists approach complex molecular systems through multiscale modeling. UC Santa Barbara chemical engineering ...

Multiscale modelling of material behaviour integrates descriptions of matter from the atomic to the macroscopic scale, encompassing quantum mechanical calculations, atomistic simulations, mesoscale ...

Temperature adds another challenge. Standard DFT is essentially a zero-temperature approach, so thermal effects must be ...

As product development teams face increasingly complex challenges — including the need for greater sustainability — there’s a growing awareness of the critical contributions made by materials. Many of ...

Authors of the article “Multi-scale modelling of mechanical responses of FeCrAl alloys with solid-solution and processing effects” / AI Materials.

Traditionally, analyzing materials involved techniques tailored for specific scales, which made integrating data from these different methods quite challenging. However, recent advancements in ...

Coastal and nearshore systems are dynamic interfaces between land and sea that play crucial roles in ecological balance, socioeconomic development, and ...