Electronic structure based descriptor for characterizing local atomic environments
Electronic structure based descriptor for characterizing local atomic environments is a scholarly work, published in 2018 in ''Physical Review B''. The main subjects of the publication include chemistry, Construct, space, drug design, artificial intelligence, computer science, electronic structure, noncovalent bonding, materials informatics industry, and statistical physics. The authors show that a low-dimensional moments-descriptor is\nsufficient as the lowest moments, calculated from the closest atomic\nneighborhood, carry the largest contributions to the local bond energy.