A computational model of the more than 26 million atoms in a DNA-packed viral capsid expands our understanding of virus structure and DNA dynamics, insights that could provide new research avenues and ...

With the growing demand for more efficient and sustainable chemical processes, single-atom catalysts (SACs) have become a research hotspot due to their high atomic utilization and unique catalytic ...

Harvard researchers bring the accuracy, sample efficiency, and robustness of deep equivariant neural networks to the simulate 44 million atoms. This is achieved through a combination of innovative ...

Recently, a research team from the Hefei Institutes of Physical Science of the Chinese Academy of Sciences, have constructed a copper single atom catalyst (Cu-N3 SAs) with an N coordination structure ...