857 citations · 2.8k across the 19 of their papers we have counts for
3 papers · 1 filter
Data-driven materials science: status, challenges and perspectives
Lauri Himanen, Amber Geurts, Adam S. Foster +1
Data-driven science is heralded as a new paradigm in materials science. In this field, data is the new resource, and knowledge is extracted from materials data sets that are too bi…
Automated Structure Discovery in Atomic Force Microscopy
Benjamin Alldritt, Prokop Hapala, Niko Oinonena +7
Atomic force microscopy (AFM) with molecule-functionalized tips has emerged as the primary experimental technique for probing the atomic structure of organic molecules on surfaces.…
First principles electron transport: finite-element implementation for nanostructures
Paula Havu, Ville Havu, Martti J. Puska +3
We have modeled transport properties of nanostructures using the Green's function method within the framework of the density-functional theory. The scheme is computationally demand…