At the cutting edge of nanofluidics, the Discussion topic of molecular and ion flow through angstrom-scale channels, seeks to understand opportunities to measure, control and manipulate nanoscale mass ...

The shape of tiny silver seeds made of fewer than 200 atoms depends on their precise size and temperature and defines the shape of the final nanoparticle. Home; ... parallel-tempering molecular ...

Molecular modeling reveals how nanocrystals take shape The shape of tiny silver seeds made of fewer than 200 atoms depends on their precise size and temperature and defines the shape of the final ...

Ion-beam-assisted molecular beam epitaxy (IBA-MBE) enhances thin-film growth by improving crystallinity, reducing defects, and enabling precise material properties for applications in semiconductors, ...

The new work adds to this body of research by exploring the role of nanocrystal shape in more detail. In their experiments, Jia and colleagues measured the density of OLA ligands on ZnS nanocrystals ...

The shape and size of particles play a crucial role in the performance of lithium-ion batteries. Smaller particles offer a greater surface area, which enhances the charge and discharge rates and ...

Accurate molecular representation plays a crucial role in expediting the process of drug discovery. Graph neural networks (GNNs) have demonstrated robust capabilities in molecular representation ...

By expanding calculations to include two-body, three-body, and four-body interactions, ViSNet improves molecular geometry representation and maintains computational efficiency. Evaluation across ...

Epic of a molecular ion: With eyes of electrons Delving into unexplored realms, MeV-UED illuminates the birth and structural evolution of a molecular ion ...

A molecular dynamics trajectory approach was shown by a research team to improve ion mobility predictions with deviations of mere percentage points ... W. Molecular Dynamics-Based Modeling of ...