25 citations · 29 across the 5 of their papers we have counts for
5 papers
MAMBO: a lightweight ontology for multiscale materials and applications
Fabio Le Piane, Matteo Baldoni, Mauro Gaspari +1
Advancements of both computational and experimental tools have recently led to significant progress in the development of new advanced and functional materials, paralleled by a qui…
Molecular and Materials Basic Ontology: development and first steps
Fabio Le Piane, Matteo Baldoni, Mauro Gaspari +1
Advanced materials and their applications have become a key field of research, and it looks like this trend is not going to change soon. For that reason, the need for systematic an…
Introducing MAMBO: Materials And Molecules Basic Ontology
Fabio Le Piane, Matteo Baldoni, Mauro Gaspari +1
Recent advances in computational and experimental technologies applied to the design and development of novel materials have brought out the need for systematic, rational and effic…
Predicting the properties of molecular materials: multiscale simulation workflows meet machine learning
Fabio Le Piane, Matteo Baldoni, Francesco Mercuri
Machine Learning tools are nowadays widely applied extensively to the prediction of the properties of molecular materials, using datasets extracted from high-throughput computation…
Optimizing electronic structure and quantum transport at the graphene-Si(111) interface: An ab-initio density-functional study
Ceren Tayran, Zhen Zhu, Matteo Baldoni +3
We use ab initio density functional calculations to determine the interaction of a graphene monolayer with the Si(111) surface. We found that graphene forms strong bonds to the bar…