28 citations
Counting papers with at most 25 authors, so collaboration author lists do not stand in for the people here.
- European Theoretical Spectroscopy FacilityBE11 papers
- UCLouvainBE9 papers
- École Polytechnique Fédérale de LausanneCH4 papers
- Paul Scherrer InstituteCH3 papers
- TU WienAT3 papers
- Université Libre de BruxellesBE2 papers
- University of Applied Sciences UtrechtNL2 papers
- University of BremenDE2 papers
- University of GenevaCH2 papers
- University of LiègeBE2 papers
- Utrecht UniversityNL2 papers
- American Committee for the Weizmann Institute of ScienceUS1 paper
18 papers
A Direct Classification Approach for Reliable Wind Ramp Event Forecasting under Severe Class Imbalance
Alejandro Morales-Hernández, Fabrizio De Caroa, Gian Marco Paldino +3
Decision support systems are essential for maintaining grid stability in low-carbon power systems, such as wind power plants, by providing real-time alerts to control room operator…
Electron-phonon coupling in magnetic materials using the local spin density approximation
Á. A. Carrasco Álvarez, M. Giantomassi, J. Lihm +4
Magnetic materials are crucial for manipulating electron spin and magnetic fields, enabling applications in data storage, spintronics, charge transport, and energy conversion, whil…
Extraction of the self energy and Eliashberg function from angle resolved photoemission spectroscopy using the xARPES code
Thomas P. van Waas, Christophe Berthod, Jan Berges +3
Angle-resolved photoemission spectroscopy is a powerful experimental technique for studying anisotropic many-body interactions through the electron spectral function. Existing atte…
Abinit 2025: New Capabilities for the Predictive Modeling of Solids and Nanomaterials
Matthieu J. Verstraete, Joao Abreu, Guillaume E. Allemand +71
Abinit is a widely used scientific software package implementing density functional theory and many related functionalities for excited states and response properties. This paper p…
Variational first-principles approach to self-trapped polarons
Vasilii Vasilchenko, Matteo Giantomassi, Samuel Poncé +1
The behavior of charge carriers in polar materials is governed by electron-phonon interactions, which affect their mobilities via phonon scattering and may localize carriers into s…
Impact of electronic correlations on the superconductivity of high-pressure CeH
Siyu Chen, Yao Wei, Bartomeu Monserrat +2
Rare-earth superhydrides have attracted considerable attention because of their high critical superconducting temperature under extreme pressures. They are known to have localized…
Phonon-limited carrier transport in the Weyl semimetal TaAs
Zhe Liu, Shashi B. Mishra, Jae-Mo Lihm +2
Topological Weyl semimetals represent a novel class of quantum materials that exhibit remarkable properties arising from their unique electronic structure. In this work, we employ…
Lithium Intercalation in the Anisotropic van der Waals Magnetic Semiconductor CrSBr
Kseniia Mosina, Aljoscha Söll, Jiri Sturala +9
Alkali metal intercalation is an important strategy for doping van der Waals materials. Lithium, in particular, was shown to achieve exceptional charge carrier densities, reaching…
Decoding Phone Pairs from MEG Signals Across Speech Modalities
Xabier de Zuazo, Eva Navas, Ibon Saratxaga +2
Understanding the neural mechanisms underlying speech production is essential for both advancing cognitive neuroscience theory and developing practical communication technologies.…
Accelerating the discovery of high-performance nonlinear optical materials using active learning and high-throughput screening
Victor Trinquet, Matthew L. Evans, Gian-Marco Rignanese
Due to their abundant use in all-solid-state lasers, nonlinear optical (NLO) crystals are needed for many applications across diverse fields such as medicine and communication. How…
Charting the landscape of Bardeen-Cooper-Schrieffer superconductors in experimentally known compounds
Marnik Bercx, Samuel Poncé, Yiming Zhang +8
We perform a high-throughput computational search for novel phonon-mediated superconductors, starting from the Materials Cloud 3-dimensional structure database of experimentally kn…
High-throughput calculations of spin Hall conductivity in non-magnetic 2D materials
Jiaqi Zhou, Samuel Poncé, Jean-Christophe Charlier
Spin Hall effect (SHE) in two-dimensional (2D) materials is promising to effectively manipulate spin angular momentum and identify topological properties. In this work, we implemen…
Datatractor: Metadata, automation, and registries for extractor interoperability in the chemical and materials sciences
Matthew L. Evans, Gian-Marco Rignanese, David Elbert +1
Two key issues hindering the transition towards FAIR data science are the poor discoverability and inconsistent instructions for the use of data extractor tools, i.e., how we go fr…
Verification and Validation of zero-point electron-phonon renormalization of the bandgap, mass enhancement, and spectral functions
Samuel Poncé, Jae-Mo Lihm, Cheol-Hwan Park
Verification and validation of methods and first-principles software are at the core of computational solid-state physics but are too rarely addressed. We compare four first-princi…
Duality and degeneracy lifting in two-dimensional electron liquids on SrTiO(001)
Igor Sokolović, Eduardo B. Guedes, Thomas P. van Waas +7
Two-dimensional electron liquids (2DELs) have increasing technological relevance for ultrafast electronics and spintronics, yet significant gaps in their fundamental understanding…
Dimensionality reduction of neuronal degeneracy reveals two interfering physiological mechanisms
Arthur Fyon, Alessio Franci, Pierre Sacré +1
Neuronal systems maintain stable functions despite large variability in their physiological components. Ion channel expression, in particular, is highly variable in neurons exhibit…
Electron mobility of SnO2 from first principles
Amanda Wang, Kyle Bushick, Nick Pant +6
The transparent conducting oxide SnO2 is a wide bandgap semiconductor that is easily n-type doped and widely used in various electronic and optoelectronic applications. Experimenta…
Enhanced Spin Hall Ratio in Two-Dimensional Semiconductors
Jiaqi Zhou, Samuel Poncé, Jean-Christophe Charlier
The conversion efficiency from charge current to spin current via spin Hall effect is evaluated by the spin Hall ratio (SHR). Through state-of-the-art calculations invo…