Uncertainty that follows the atomic environment
A calibration method makes force-error estimates more responsive to local structure.
Questions across chemistry.
Explore AI through the reactions, molecules, materials, and methods it touches.
Six ions move together in a lithium-fluoride simulation
A predicted transport mechanism offers a question for battery-interface experiments.
A force field needs the right exam
Three materials studies ask whether a convincing simulation answers the physical question that matters.
Learning an equation for copper
Symbolic regression makes the form of an interatomic model part of the search.