6 citations · 12 across the 5 of their papers we have counts for
5 papers
Density Functional Theory ToolKit (DFTTK) to Automate First-Principles Thermodynamics via the Quasiharmonic Approximation
Nigel Lee En Hew, Luke Allen Myers, Axel van de Walle +2
The Helmholtz energy is a key thermodynamic quantity representing available energy to do work at a constant temperature and volume. Despite a well-established methodology from firs…
Soliquidy: a descriptor for atomic geometrical confusion
Hagen Eckert, Sebastian A. Kube, Simon Divilov +10
Tailoring material properties often requires understanding the solidification process. Herein, we introduce the geometric descriptor Soliquidy, which numerically captures the Eucli…
Ultralight vector dark matter search using data from the KAGRA O3GK run
The LIGO Scientific Collaboration, the Virgo Collaboration, the KAGRA Collaboration +1800
Among the various candidates for dark matter (DM), ultralight vector DM can be probed by laser interferometric gravitational wave detectors through the measurement of oscillating l…
Search for Eccentric Black Hole Coalescences during the Third Observing Run of LIGO and Virgo
The LIGO Scientific Collaboration, the Virgo Collaboration, the KAGRA Collaboration +1772
Despite the growing number of confident binary black hole coalescences observed through gravitational waves so far, the astrophysical origin of these binaries remains uncertain. Or…
Ab initio thermodynamics of intrinsic oxygen vacancies in ceria
Chirranjeevi Balaji Gopal, Axel van de Walle
Nonstoichiometric ceria(CeO) is a candidate reaction medium to facilitate two step water splitting cycles and generate hydrogen. Improving upon its thermodynamic suitabilit…