Researchers from China University of Petroleum (East China), in collaboration with international partners, have reported a ...
Researchers from China University of Petroleum (East China), in collaboration with international partners, have reported a comprehensive review of ...
High-throughput computational workflow for the screening of candidate high pressure hydride superconductors, coupling density functional theory (DFT) simulations with machine learning. Credit: Daniel ...
The built environment faces increasing pressures from climate change, resource limitations, and rapid urbanisation.
Understanding how molecules interact with metal surfaces is fundamental to catalysis and surface chemistry. However, traditional computational methods face a trade-off: achieving high accuracy often ...
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