161 citations · 354 across the 9 of their papers we have counts for
4 papers · 1 filter
Photoemission Spectroscopy on photoresist materials: A protocol for analysis of radiation sensitive materials
Faegheh S. Sajjadian, Laura Galleni, Kevin M. Dorney +5
Device architectures and dimensions are now at an unimaginable level not thought possible even 10 years ago. The continued downscaling, following the so-called Moore's law, has mot…
Computing Elastic Tensors of Amorphous Materials from First-Principles
C. Pashartis, M. J. van Setten, M. Houssa +1
Advancements in modern semiconductor devices increasingly depend on the utilization of amorphous materials and the reduction of material thickness, pushing the boundaries of their…
Quasi-Particle Self-Consistent for Molecules
F. Kaplan, M. E. Harding, C. Seiler +3
We present the formalism and implementation of quasi-particle self-consistent GW (qsGW) and eigenvalue only quasi-particle self-consistent GW (evGW) adapted to standard quantum che…
A First-Principles Tool to Discover New Pyrometallurgical Refining Options
Michiel J. Van Setten, Annelies Malfliet, Geoffroy Hautier +1
We demonstrate the opportunities of first-principles density functional theory (DFT) calculations for the development of new metallurgical refining processes. As such, a methodolog…