By combining AI with molecular dynamics simulations, researchers have developed a new tool to more accurately predict how ...

Researchers have made a meaningful advance in the simulation of molecular electron transfer -- a fundamental process underpinning countless physical, chemical and biological processes. The study ...

This is what fun looks like for a particular set of theoretical chemists driven to solve extremely difficult problems: ...

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

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 ...