15 citations · 20 across the 4 of their papers we have counts for
4 papers
Potential energy surface study of X@SiX(X=Cl, Br) clusters to decipher the stabilization process of Si fullerene
Deb Sankar De, Santanu Saha, Stefan Goedecker
Efforts toward stabilization of the Si fullerene through different schemes have failed despite several theoretical predictions. However, recently Tillmann {\it et. al.} succ…
Maximum volume simplex method for automatic selection and classification of atomic environments and environment descriptor compression
Behnam Parsaeifard, Daniele Tomerini, Deb Sankar De +1
Fingerprint distances, which measure the similarity of atomic environments, are commonly calculated from atomic environment fingerprint vectors. In this work we present the simplex…
Finding reaction pathways with optimal atomic index mappings
Deb Sankar De, Marco Krummenacher, Bastian Schaefer +1
Finding complex reaction and transformation pathways, involving many intermediate states, is in general not possible on the DFT level with existing simulation methods due to the ve…
Comment on the stability of decorated C 48 B 12 heterofullerene
Deb Sankar De, Santanu Saha, Luigi Genovese +1
A good hydrogen storage material should adsorb hydrogen in high concentrations and with optimal binding energies. Numerous mixed carbon boron fullerenes which are decorated with me…