People have always looked for patterns to explain the universe and to predict the future. “Red sky at night, sailor’s delight. Red sky in morning, sailor’s warning” is an adage predicting the weather.

Every medication in your cabinet, every material in your phone's battery, and virtually every compound that makes modern life work started as a molecular guess, with scientists hypothesizing that a ...

Scientists use AI to generate designs of potential new molecules, a process that is 10 times faster and more precise.

New “AI GYM for Science” dramatically boosts the biological and chemical intelligence of any causal or frontier LLM, ...

The CP2K open-source package is among the top three most widely used research software suites worldwide for simulating the behavior of atoms and molecules. Among other applications, CP2K plays an ...

Nearly three decades ago, scientists found that a pair of molecules in rye pollen exhibited an unusual ability to slow tumor ...