A major scientific advance in protein modeling developed by Microsoft Research AI for Science, has been published in Science.

The graphite found in your favorite pencil could have instead been the diamond your mother always wears. What made the ...

Definition: Molecular Dynamics (MD) Simulations are a computer simulation technique used to study the physical movements of atoms and molecules. By simulating the interactions and dynamics of ...

A newly developed generative AI model is helping researchers explore protein dynamics with increased speed. The deep learning system, called BioEmu, predicts the full range of conformations a protein ...

More than a year ago, computational scientists at the Department of Energy's Oak Ridge National Laboratory published a study ...

Physicists explains how the theoretical chemist Martin Karplus and his team applied the approach of molecular dynamics simulation to a large biological molecule, a protein, deeply impacting ...

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 ...

Molten carbon can crystallize into diamond or graphite, but it has been difficult to study this process. New simulations show ...