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

ORNL scientists confirmed critical errors in standard water simulations, emphasizing the need for accurate time steps to ...

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

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

Researchers have demonstrated that by using argon plasma, metal atoms can be dispersed and guided to desired positions. This ...

Water is the most prevalent component of biomolecular simulations - from protein ensembles to nucleic acids - and ...

Imagine a bacterial cell—one of the multi-drug-resistant varieties that keep infectious disease experts up at night—blown ...

Scientists found low-density amorphous ice in space isn’t fully random - it hides tiny crystals, reshaping our understanding ...

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 ...

Del Tatto et al. developed a framework for determining causal links in molecular simulations. The framework uses two ...

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