31 citations · 120 across the 25 of their papers we have counts for
3 papers · 1 filter
Obtaining transferable chemical insight from solving machine-learning classification problems: Thermodynamical properties prediction, atomic composition as good as Coulomb matrix
Leon Alday-Toledo, Roberto Bernal-Jaquez, Saul Zapotecas-Martinez +1
Machine learning (ML) can be used to construct surrogate models for the fast prediction of a property of interest. ML can thus be applied to chemical projects, where the usual expe…
Spin Current Density Functional Theory of the Quantum Spin-Hall Phase
William P. Comaskey, Filippo Bodo, Alessandro Erba +2
The spin current density functional theory (SCDFT) is the generalization of the standard DFT to treat a fermionic system embedded in the effective external field produced by the sp…
A poset version of Ramanujan results on Eulerian numbers and zeta values
Eric Dolores-Cuenca, Jose L. Mendoza-Cortes
We explore the operad of finite posets and its algebras. We use order polytopes to investigate the combinatorial properties of zeta values. By generalizing a family of zeta value i…