3 citations · 3 across the 2 of their papers we have counts for
4 papers · 1 filter
Large-scale Integration of Experimental and Computational Data for 2D Materials
Mohammad A. Akhound, Tara M. Boland, Mikkel O. Sauer +19
The past decade has seen rapid growth in the number of experimentally realized two-dimensional (2D) materials with diverse chemical and physical properties. However, information on…
Fundamental Factors Governing Stabilization of Janus 2D-Bulk Heterostructures with Machine Learning
Tara M. Boland, Rachel Gorelik, Arunima K. Singh
The more-than-6000 2D materials predicted thus far provide a huge combinatorial space for forming functional heterostructures with bulk materials, with potential applications in na…
Developments and applications of the OPTIMADE API for materials discovery, design, and data exchange
Matthew L. Evans, Johan Bergsma, Andrius Merkys +56
The Open Databases Integration for Materials Design (OPTIMADE) application programming interface (API) empowers users with holistic access to a growing federation of databases, enh…
GPAW: An open Python package for electronic-structure calculations
Jens Jørgen Mortensen, Ask Hjorth Larsen, Mikael Kuisma +44
We review the GPAW open-source Python package for electronic structure calculations. GPAW is based on the projector-augmented wave method and can solve the self-consistent density…