Quantum ESPRESSO toward the exascale
Q uantum ESPRESSO is an open-source distribution of computer codes for quantum-
mechanical materials modeling, based on density-functional theory, pseudopotentials, and …
mechanical materials modeling, based on density-functional theory, pseudopotentials, and …
Advanced capabilities for materials modelling with Quantum ESPRESSO
Q uantum ESPRESSO is an integrated suite of open-source computer codes for quantum
simulations of materials using state-of-the-art electronic-structure techniques, based on …
simulations of materials using state-of-the-art electronic-structure techniques, based on …
Plasmonic high-entropy carbides
Discovering multifunctional materials with tunable plasmonic properties, capable of
surviving harsh environments is critical for advanced optical and telecommunication …
surviving harsh environments is critical for advanced optical and telecommunication …
Advancements in secondary and backscattered electron energy spectra and yields analysis: From theory to applications
Over the past decade, experimental microscopy and spectroscopy have made significant
progress in the study of the morphological, optical, electronic and transport properties of …
progress in the study of the morphological, optical, electronic and transport properties of …
Condensed Matter Systems Exposed to Radiation: Multiscale Theory, Simulations, and Experiment
This roadmap reviews the new, highly interdisciplinary research field studying the behavior
of condensed matter systems exposed to radiation. The Review highlights several recent …
of condensed matter systems exposed to radiation. The Review highlights several recent …
Electron confinement–induced plasmonic breakdown in metals
Plasmon resonance represents the collective oscillation of free electron gas density and
enables enhanced light-matter interactions in nanoscale dimensions. Traditionally, the …
enables enhanced light-matter interactions in nanoscale dimensions. Traditionally, the …
First-principles modeling of plasmons in aluminum under ambient and extreme conditions
The theoretical understanding of plasmon behavior is crucial for an accurate interpretation of
inelastic scattering diagnostics in many experiments. We highlight the utility of linear …
inelastic scattering diagnostics in many experiments. We highlight the utility of linear …
Plasmonic properties of refractory titanium nitride
A Catellani, A Calzolari - Physical Review B, 2017 - APS
The development of plasmonic and metamaterial devices requires the research of high-
performance materials alternative to standard noble metals. Renewed as a refractory stable …
performance materials alternative to standard noble metals. Renewed as a refractory stable …
The role of low-energy electrons in the charging process of LISA test masses
The estimate of the total electron yield is fundamental for our understanding of the test-mass
charging associated with cosmic rays in the Laser Interferometer Space Antenna (LISA) …
charging associated with cosmic rays in the Laser Interferometer Space Antenna (LISA) …
turboEELS—A code for the simulation of the electron energy loss and inelastic X-ray scattering spectra using the Liouville–Lanczos approach to time-dependent …
We introduce turboEELS, an implementation of the Liouville–Lanczos approach to
linearized time-dependent density-functional theory, designed to simulate electron energy …
linearized time-dependent density-functional theory, designed to simulate electron energy …