Uncertainty that follows the atomic environment
A calibration method makes force-error estimates more responsive to local structure.
Faraday
Materials, simulation, analytical chemistry. Quantitative comparisons.
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Published work
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.