The authors devise an efficient quantum approach to address the van der Waals interactions due to photoexcitations by approximating the Bethe-Salpeter equation. Both attractive/repulsive forces can ...

An action packed day at DAC where all extremes of the EDA problem space can be covered under one roof. The industry and users have a love/hate relationship with UVM. It has quickly risen to become the ...

Chinese Journal of Catalysis is co-sponsored by Dalian Institute of Chemical Physics, Chinese Academy of Sciences and Chinese Chemical Society, and it is currently published by Elsevier group. This ...

XAFS technology can characterize metal site structures, perform in situ detection in catalytic reactions, and conduct quantitative analysis. When combined with DFT calculations and machine learning, ...

There is more than one way to describe a water molecule, especially when communicating with a machine learning (ML) model, says chemist Robert DiStasio. You can feed the algorithm the molecule's ...

Machine learning is a subfield of artificial intelligence, which explores how to computationally simulate (or surpass) humanlike intelligence. While some AI techniques (such as expert systems) use ...