Multi-scale structures, as found in nature (eg, bone and bamboo), hold the promise of
achieving superior performance while being intrinsically lightweight, robust, and multi …

It is a considerably promising strategy to produce fuels and high‐value chemicals through
an electrochemical conversion process in the green and sustainable energy systems …

Large-scale atomistic computer simulations of materials rely on interatomic potentials
providing computationally efficient predictions of energy and Newtonian forces. Traditional …

By averaging over atomic details, coarse-grained (CG) models provide profound
computational and conceptual advantages for studying soft materials. In particular, bottom …

The combination of scientific advances in additive manufacturing (AM) and smart materials
(SMs) has enabled the development of a new interdisciplinary research area: 4D printing …

Artificial intelligence (AI) embedded within digital models of manufacturing processes can be
used to improve process productivity and product quality significantly. The application of …

Collagen amino acids play a pivotal role as essential building blocks within diverse
biological structures. Exploring their interactions with composite materials holds the potential …

This work reports the results of a perspective workshop held in summer 2021 discussing the
current status and future needs for multiscale modeling in reaction engineering. This …

Interdependence across time and length scales is common in biology, where atomic
interactions can impact larger-scale phenomenon. Such dependence is especially true for a …

In recent years, modeling and simulation of materials have become indispensable to
complement experiments in materials design. High‐throughput simulations increasingly aid …