176 citations · 1.3k across the 25 of their papers we have counts for
5 papers · 1 filter
Tensor-reduced atomic density representations
James P. Darby, Dávid P. Kovács, Ilyes Batatia +4
Density based representations of atomic environments that are invariant under Euclidean symmetries have become a widely used tool in the machine learning of interatomic potentials,…
Machine learning based modeling of disordered elemental semiconductors: understanding the atomic structure of a-Si and a-C
Miguel A. Caro
Disordered elemental semiconductors, most notably a-C and a-Si, are ubiquitous in a myriad of different applications. These exploit their unique mechanical and electronic propertie…
Cluster-based multidimensional scaling embedding tool for data visualization
Patricia Hernández-León, Miguel A. Caro
We present a new technique for visualizing high-dimensional data called cluster MDS (cl-MDS), which addresses a common difficulty of dimensionality reduction methods: preserving bo…
Quantum-corrected thickness-dependent thermal conductivity in amorphous silicon predicted by machine-learning molecular dynamics simulations
Yanzhou Wang, Zheyong Fan, Ping Qian +2
Amorphous silicon (a-Si) is an important thermal-management material and also serves as an ideal playground for studying heat transport in strongly disordered materials. Theoretica…
Reassignment of magic numbers for icosahedral Au clusters: 310, 564, 928 and 1426
Jan Kloppenburg, Andreas Pedersen, Kari Laasonen +2
Icosahedral Au clusters with three and four shells of atoms are found to deviate significantly from the commonly assumed Mackay structures. By introducing additional atoms in the s…