2 papers
physics.atm-clus2025
A note on the minimal pairwise distance in optimal Lennard-Jones -body clusters
Michael K. -H. Kiessling, David J. Wales
Good a-priori bounds on the smallest pairwise distance $r_{\rm{min}}(\mbox{LJ}_N^{\rm{gmin}})$ for a three-dimensional (3D) Lennard-Jones -body cluster of globally minimal energ…
quant-ph2025
Encoding molecular structures in quantum machine learning
Choy Boy, Edoardo Altamura, Dilhan Manawadu +3
Quantum machine learning (QML) has great potential for the analysis of chemical datasets. However, conventional quantum data-encoding schemes, such as fingerprint encoding, are gen…