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 ...

(Nanowerk News) Surface modification of micro-nanoparticles at the atomic and close-to-atomic scales is of great importance to their applications in a variety of fields, such as energy storage, ...

Predicting how molecular changes affect the brain's overall activity is a major challenge in neuroscience. Many deep questions about the brain can only be understood by looking at several layers of ...

Electro- and photocatalytic materials are central to enabling sustainable energy conversion processes such as water splitting, CO2 reduction, oxygen ...

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 ...

Mesoscale modeling is often considered merely as a practical strategy used when information on lower-scale details is lacking, or when there is a need to make models cognitively or computationally ...

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

Computational modeling is used to simulate and study complex systems using computer science, physics, and mathematics. Numerous variables are programmed into the computational model to characterize ...