output
20022024
most citedAssessing the Performance of Recent Density Functionals for Bulk Solids

1k citations

researchers with a paper here

Counting papers with at most 25 authors, so collaboration author lists do not stand in for the people here.

collaborating institutions
Showing 2012 · cond-mat.mtrl-sciShow all

2 papers · 2 filters

cond-mat.mtrl-sci2012★ 369 cited

Effect of van der Waals interactions on the structural and elastic properties of black phosphorus

S. Appalakondaiah, G. Vaitheeswaran, S. Lebegue +2

The structural and elastic properties of orthorhombic black phosphorus have been investigated using first-principles calculations based on density functional theory. The structural…

cond-mat.mtrl-sci2012★ 11 cited

Diffusion Of Indigo Molecules Inside The Palygorskite Clay Channels

Catherine Dejoie, Pauline Martinetto, Eric Dooryhee +6

The search for durable dyes led several past civilizations to develop artificial pigments. Maya Blue (MB), manufactured in pre-Columbian Mesoamerica, is one of the best known examp…