Sandia National Laboratories announced today a new speed record in molecular dynamics simulation. A collaborative research team ran simulations using the Cerebras Wafer Scale Engine (WSE) processor ...

Molecular Dynamics Simulations are grounded in classical mechanics, particularly Newton’s laws of motion, to predict how particles move within a system. The force acting on each atom is calculated ...

Molecular dynamics (MD) simulations have emerged as an indispensable tool for elucidating the underlying atomistic mechanisms in sintering processes. By tracking individual atoms and their ...

Researchers have used machine learning and supercomputer simulations to investigate how tiny gold nanoparticles bind to blood proteins. The studies discovered that favorable nanoparticle-protein ...

Combining equilibrium and non-equilibrium approaches separates fluid into near-wall and bulk fluid regions, showing that all ...

The most recent discovery, the Cu-doped lead apatite “LK-99”, is a proposed room-temperature superconductor operating under ambient pressure. However, this discovery has brought a slew of conflicting ...