512 citations · 512 across the 1 of their papers we have counts for
2 papers
physics.chem-ph2020
Improved Description of Atomic Environments using Low-cost Polynomial Functions with Compact Support
Martin P. Bircher, Andreas Singraber, Christoph Dellago
The prediction of chemical properties using Machine Learning (ML) techniques calls for a set of appropriate descriptors that accurately describe atomic and, on a larger scale, mole…
physics.comp-ph2016★ 512 cited
How van der Waals interactions determine the unique properties of water
Tobias Morawietz, Andreas Singraber, Christoph Dellago +1
While the interactions between water molecules are dominated by strongly directional hydrogen bonds (HBs), it was recently proposed that relatively weak, isotropic van der Waals (v…