Who is the better experimentalist, a human or a robot? When it comes to exploring synthetic and crystallization conditions for inorganic gigantic molecules, actively learning machines are clearly ...

Machine learning (ML) is increasingly being utilized to optimize the research paradigm and shorten the time from discovery to application of novel functional materials, pharmaceuticals, and fine ...

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 ...