European Theoretical Spectroscopy Facility - ETSF

The European Theoretical Spectroscopy Facility (ETSF) is a research network across Europe and the United States.
We carry out state-of-the-art research on theoretical and computational methods for the study of electronic and optical properties of materials. Due to its wide range of subjects and methods, the knowledge and expertise of the ETSF is relevant to a great number of fields in need of knowledge about electronic excitations, transport and spectroscopy, such as condensed-matter physics and chemistry, biology, and materials- and nano-science. The ETSF gathers the experience and know-how of more than 200 researchers, facilitating collaboration, innovation, and rapid knowledge transfer.

DFT for Superconductors: theory and implementation in the SIESTA code (R. Reho)

DFT for Superconductors: theory and implementation in the SIESTA code (R. Reho)
Multiscale Approaches for Computational Spectroscopy of Complex Systems (T. Giovannini)

Multiscale Approaches for Computational Spectroscopy of Complex Systems (T. Giovannini)
Quantum Nuclear Dynamics in SrTiO3 with THz Pump-Probe First-Principles Simulations (L. Monacelli)

Quantum Nuclear Dynamics in SrTiO3 with THz Pump-Probe First-Principles Simulations (L. Monacelli)
Theoretical approach of strong-field light-matter interaction (M. Labeye)

Theoretical approach of strong-field light-matter interaction (M. Labeye)
Anharmonic Lattice Dynamics and Electron-Phonon Coupling Calculations Made Simple (M. Zacharias)

Anharmonic Lattice Dynamics and Electron-Phonon Coupling Calculations Made Simple (M. Zacharias)
Probing excitons in α-Al2O3 through resonant inelastic x-ray scattering (L. Urquiza)

Probing excitons in α-Al2O3 through resonant inelastic x-ray scattering (L. Urquiza)
Efficient full frequency GW via a multipole approach for the dielectric screening (D. A. Leon)

Efficient full frequency GW via a multipole approach for the dielectric screening (D. A. Leon)
Floquet formulation of the dynamical Berry-phase approach to nonlinear optics in solids (I. Alliati)

Floquet formulation of the dynamical Berry-phase approach to nonlinear optics in solids (I. Alliati)
Neutral and charged excitation energies with quantum Monte Carlo for solids (V. Gorelev)

Neutral and charged excitation energies with quantum Monte Carlo for solids (V. Gorelev)
Efficient calculations in 2D materials by interpolating the screened interaction (A. Guandalini)

Efficient calculations in 2D materials by interpolating the screened interaction (A. Guandalini)
Energies and spectra of solids from the algorithmic inversion of localized GW (T. Chiarotti)

Energies and spectra of solids from the algorithmic inversion of localized GW (T. Chiarotti)
Optical properties of molecular photoswitches and metal-organic frameworks (R. Poloni)

Optical properties of molecular photoswitches and metal-organic frameworks (R. Poloni)
Machine learning the random-phase approximation (C. Verdi)

Machine learning the random-phase approximation (C. Verdi)
Unraveling Heat Transport and Dissipation in Suspended MoSe2 from Bulk to Monolayer (R. Farris)

Unraveling Heat Transport and Dissipation in Suspended MoSe2 from Bulk to Monolayer (R. Farris)
Many-body Green's functions approach to lattice thermal transport (G. Caldarelli)

Many-body Green's functions approach to lattice thermal transport (G. Caldarelli)
Efficient Algorithms for Non-Interacting Ensembles in RDMFT in the Canonical Ensemble (D. Kooi)

Efficient Algorithms for Non-Interacting Ensembles in RDMFT in the Canonical Ensemble (D. Kooi)
Magnetic properties and energy dispersion of metallic antiferromagnets (K. Kang)

Magnetic properties and energy dispersion of metallic antiferromagnets (K. Kang)
Tackling nonlocal electronic correlations with the dynamical vertex approximation (A. Galler)

Tackling nonlocal electronic correlations with the dynamical vertex approximation (A. Galler)
Interference effects in one-dimensional moiré crystals (N. Wittemeier)

Interference effects in one-dimensional moiré crystals (N. Wittemeier)
New approximation to the exchange correlation potential from connector theory approach (A. Aouina)

New approximation to the exchange correlation potential from connector theory approach (A. Aouina)
Ab initio approach to exciton dynamics (D. Sangalli)

Ab initio approach to exciton dynamics (D. Sangalli)
Breakdown of LO-TO polar splitting in 1D materials (N. Rivano)

Breakdown of LO-TO polar splitting in 1D materials (N. Rivano)
Photoemission Spectra from the Extended Koopman’s Theorem (S. Di Sabatino)

Photoemission Spectra from the Extended Koopman’s Theorem (S. Di Sabatino)
Optical signals of qubits in defected 2D TMDs (P. Melo)

Optical signals of qubits in defected 2D TMDs (P. Melo)
Plasmonic hot carrier dynamics for photocatalysis (M. Marsili)

Plasmonic hot carrier dynamics for photocatalysis (M. Marsili)
Exciton-phonon interaction revisited (F. Paleari)

Exciton-phonon interaction revisited (F. Paleari)
Why is it called the density matrix renormalization group? (T. E. Baker)

Why is it called the density matrix renormalization group? (T. E. Baker)
A density-corrected DFT scheme applied to the calculation of spin-state energetics (A. Mariano)

A density-corrected DFT scheme applied to the calculation of spin-state energetics (A. Mariano)
Accurate non-covalent interactions from models for the Møller-Plesset AC (S. Vuckovic)

Accurate non-covalent interactions from models for the Møller-Plesset AC (S. Vuckovic)
QT through Ge-vacancy defects in silicon for application in quantum technologies (S. Achilli)

QT through Ge-vacancy defects in silicon for application in quantum technologies (S. Achilli)