3 citations · 3 across the 1 of their papers we have counts for
4 papers
Efficient band structure calculations using Gaussian basis functions and application to atomically thin transition-metal dichalcogenides
Rémi Pasquier, María Camarasa-Gómez, Anna-Sophia Hehn +2
We present a space-time algorithm for periodic systems in a Gaussian basis including spin-orbit coupling. We employ lattice summation to compute the irreducible density respon…
Roadmap on Advancements of the FHI-aims Software Package
Joseph W. Abbott, Carlos Mera Acosta, Alaa Akkoush +203
Electronic-structure theory is the foundation of the description of materials including multiscale modeling of their properties and functions. Obviously, without sufficient accurac…
An electrical molecular motor driven by angular momentum transfer
Julian Skolaut, Štěpán Marek, Nico Balzer +9
The generation of unidirectional motion has been a long-standing challenge in engineering of molecular motors and, more generally, machines. A molecular motor is characterized by a…
Molecular Transport
María Camarasa-Gómez, Daniel Hernangómez-Pérez, Jan Wilhelm +2
Single-molecule junctions - nanoscale systems where a molecule is connected to metallic electrodes - offer a unique platform for studying charge, spin and energy transport in non-e…