313 citations · 496 across the 10 of their papers we have counts for
10 papers
Mapping Superconductivity in High-Pressure Hydrides: The Project
Santanu Saha, Simone Di Cataldo, Federico Giannessi +3
The discovery of high- conventional superconductivity in high-pressure hydrides has helped establish computational methods as a formidable tool to guide material discoveries i…
Importance of feature engineering and database selection in a machine learning model: A case study on carbon crystal structures
Franz M. Rohrhofer, Santanu Saha, Simone Di Cataldo +3
Drive towards improved performance of machine learning models has led to the creation of complex features representing a database of condensed matter systems. The complex features,…
Fused borophenes: a new family of superhard materials
Santanu Saha, Wolfgang von der Linden, Lilia Boeri
The search of new superhard materials has received a strong impulse by industrial demands for low-cost alternatives to diamond and -BN, such as metal borides. In this Letter we…
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…
Comment on "Pentadiamond: A Hard Carbon Allotrope of a Pentagonal Network of sp2 and sp3 C Atoms"
Santanu Saha, Wolfgang von der Linden, Lilia Boeri
In a recent Letter, Fujii et. al. [Phys. Rev. Lett. 125, 016001] predicted a new carbon allotrope, pentadiamond, with remarkable mechanical properties: elastic moduli comparable or…
High-Temperature Conventional Superconductivity in the Boron-Carbon system: Material Trends
Santanu Saha, Simone Di Cataldo, Maximilian Amsler +23
In this work we probe the possibility of high-temperature conventional superconductivity in the boron-carbon system, using ab-initio screening. A database of 320 metastable structu…