Nature

Extending machine learning beyond interatomic potentials for predicting molecular properties

Chemistry encompasses an enormous body of knowledge gained over several centuries. Chemical knowledge is many-faceted, as are the techniques that can be used to obtain and analyse chemical data. When ...
Nature

Representations of molecules and materials for interpolation of quantum-mechanical simulations via machine learning

Quantitative modeling of atomic-scale phenomena is central for scientific insights and technological innovations in many areas of physics, chemistry, and materials science. Solving the equations that ...
C&EN

Narrowband Polaritonic Thermal Emitters Driven by Waste Heat

There are a broad range of applications for narrowband long-wave infrared (LWIR) sources, especially within the 8–12 μm atmospheric window. These include infrared beacons, free-space communications, ...
Frontiers

Modeling Atmosphere-Ocean Radiative Transfer: A PACE Mission Perspective

Both SPEXone and HARP2 instruments have smaller swaths and larger nadir-viewing pixel sizes, and they cover smaller parts of the UV-NIR spectrum, than the OCI. However, in addition to radiance ...