On the Chemical Origin of the Gap Bowing in (GaAs)(1−x)Ge(2x) Alloys: A Combined DFT–QSGW Study

por Giorgi, Giacomo, Van Schilfgaarde, Mark, Korkin, Anatoli, Yamashita, Koichi
Publicado 2010

Ultrafast Carrier and Lattice Dynamics in Plasmonic Nanocrystalline Copper Sulfide Films

por Bykov, Anton Yu., Shukla, Amaresh, van Schilfgaarde, Mark, Green, Mark A., Zayats, Anatoly V.
Publicado 2021

A theory for colors of strongly correlated electronic systems

por Acharya, Swagata, Pashov, Dimitar, Weber, Cedric, van Schilfgaarde, Mark, Lichtenstein, Alexander I., Katsnelson, Mikhail I.
Publicado 2023

Atomistic Origins of High-Performance in Hybrid Halide Perovskite Solar Cells

por Frost, Jarvist M., Butler, Keith T., Brivio, Federico, Hendon, Christopher H., van Schilfgaarde, Mark, Walsh, Aron
Publicado 2014

Electron–phonon-driven three-dimensional metallicity in an insulating cuprate

por Baldini, Edoardo, Sentef, Michael A., Acharya, Swagata, Brumme, Thomas, Sheveleva, Evgeniia, Lyzwa, Fryderyk, Pomjakushina, Ekaterina, Bernhard, Christian, van Schilfgaarde, Mark, Carbone, Fabrizio, Rubio, Angel, Weber, Cédric
Publicado 2020

A Perspective on Sustainable Computational Chemistry Software Development and Integration

por Di Felice, Rosa, Mayes, Maricris L., Richard, Ryan M., Williams-Young, David B., Chan, Garnet Kin-Lic, de Jong, Wibe A., Govind, Niranjan, Head-Gordon, Martin, Hermes, Matthew R., Kowalski, Karol, Li, Xiaosong, Lischka, Hans, Mueller, Karl T., Mutlu, Erdal, Niklasson, Anders M. N., Pederson, Mark R., Peng, Bo, Shepard, Ron, Valeev, Edward F., van Schilfgaarde, Mark, Vlaisavljevich, Bess, Windus, Theresa L., Xantheas, Sotiris S., Zhang, Xing, Zimmerman, Paul M.
Publicado 2023