275 citations · 333 across the 6 of their papers we have counts for
6 papers
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…
Computational discovery of high-refractive-index van der Waals materials: The case of HfS
Xavier Zambrana-Puyalto, Mark Kamper Svendsen, Amalie H. Søndersted +9
New high-refractive-index dielectric materials may enhance many optical technologies by enabling efficient manipulation of light in waveguides, metasurfaces, and nanoscale resonato…
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…
Electron Ptychography Reveals Correlated Lattice Vibrations at Atomic Resolution
Anton Gladyshev, Benedikt Haas, Thomas C. Pekin +4
In this paper we introduce an electron ptychography reconstruction framework, CAVIAR -- Correlated Atomic Vibration Imaging with sub-Angstrom Resolution -- that reveals an entirely…