Together with A. Barton Hepburn Professor of Chemistry Sharon Hammes-Schiffer and former group postdoc Tao Li, grad student Millan Welman publishes “Light-Matter Entanglement in Real-Time ...

By combining AI with molecular dynamics simulations, researchers at the Department of Energy's Oak Ridge National Laboratory ...

Catalysts play an indispensable role in modern manufacturing. More than 80% of all manufactured products, from ...

For more than three decades, researchers have used a particular simulation method for molecular dynamics called Ab initio molecular dynamics, or AIMD, which has proven itself to be the method most ...

For years, scientists in the field of molecular dynamics have been squeezed in their research. Traditional simulations that they have been using to track how atoms and molecules move through a system ...

By combining AI with molecular dynamics simulations, researchers at the Department of Energy’s Oak Ridge National Laboratory have developed a new tool to more accurately predict how plants and helpful ...