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News tagged with ab initio

Deciphering a dance of electrons and water molecules

Mar 27, 2024

Researchers discover new yttrium-hydrogen compounds with implications for high-pressure superconductivity

Mar 14, 2024

Shedding light on unique conduction mechanisms in a new type of perovskite oxide

Nov 17, 2023

Advancing biodiversity research: New initiative bridges biodiversity and omics data standards

Oct 4, 2023

Researchers one step closer to determining iron's structure at the center of Earth

Mar 13, 2023

Critical impacts of interfacial water on C-H activation in photocatalytic methane conversion

Jan 20, 2023

Hydrogen storage material's key restriction identified

Jan 13, 2023

Elucidating the mechanism of high proton conduction to develop clean energy materials

Dec 20, 2022

In simulation of how water freezes, artificial intelligence breaks the ice

Aug 8, 2022

Accurate and efficient dynamic computational strategy for heterogeneous catalysis

Jun 15, 2022
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