4 papers
First-principles electronic transport properties of Ti and Ti-6Al-4V for modeling ultrashort-pulse laser ablation
Korbinian Hobmaier, Guillaume E. Allemand, Alberto Marmodoro +4
Predictive modeling of ultrashort-pulse laser ablation requires temperature-dependent material parameters derived from the electronic structure, namely the electronic thermal condu…
Electron-phonon coupling in magnetic materials using the local spin density approximation
Á. A. Carrasco Álvarez, Ã. A. Carrasco Ãlvarez, M. Giantomassi +6
Magnetic materials are crucial for manipulating electron spin and magnetic fields, enabling applications in data storage, spintronics, charge transport, and energy conversion, whil…
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…
First-principles calculations of transport coefficients in Weyl semimetal TaAs
Guillaume E. Allemand, Matteo Giantomassi, Matthieu J. Verstraete
We study charge and heat transport from first-principles in the topological Weyl semimetal TaAs. Electron-phonon coupling matrix elements are calculated using density functional pe…