Water plays a critical role in erosion and sediment transport and this relationship is most
evident in the hyperarid Atacama Desert of Northern Chile, a region characterized by …

Lithium metal batteries are capable of pushing cell energy densities beyond what is
currently achievable with commercial Li-ion cells and are the ideal technology for supplying …

Structurally disordered materials pose fundamental questions,,–, including how different
disordered phases ('polyamorphs') can coexist and transform from one phase to another …

We use the MB-pol theoretical/computational framework to introduce a new family of data-
driven many-body potential energy functions (PEFs) for water, named MB-pol (2023). By …

Whereas the interactions between water molecules are dominated by strongly directional
hydrogen bonds (HBs), it was recently proposed that relatively weak, isotropic van der …

Friction determines whether liquid droplets slide off a solid surface or stick to it. Surface
heterogeneity is generally acknowledged as the major cause of increased contact angle …

In light of the pressing need for efficient carbon capture solutions, our study investigates the
simultaneous adsorption of water (H2O) and carbon dioxide (CO2) as a function of relative …

Amorphous silicon (a-Si) is a widely studied noncrystalline material, and yet the subtle
details of its atomistic structure are still unclear. Here, we show that accurate structural …

The molecular structure of the electrical double layer determines the chemistry in all
electrochemical processes. Using x-ray absorption spectroscopy (XAS), we probed the …

The ubiquitous presence of poly-and perfluoroalkyl substances (PFAS) in different natural
settings poses a serious threat to environmental and human health. Soils and sediments …