QE tutorial 2022 - Day 2 discussion

38 MDL- David Srolovitz: Grain boundaries are natural Brownian ratchets: directional GB anisotropy.

Methods for computational biology and drug discovery

Science writing and science editing - from journals to journalism

37 MDL- Massimiliano Di Ventra: MemComputing: when memory becomes a computing tool.

36 MDL- Dominika Zgid: Ab-initio Green’s functions methods for molecules and solids.

CECAM-MARVEL Classics in molecular and materials modelling: Eberhard Gross and Angel Rubio

MARVEL Communication open mic session - Nicola Nosengo

QE school 2023 - 5.4 Concluding remarks

QE school 2023 - 5.3 Computational Workflows for an Accelerated Design of Novel Materials

QE school 2023 - 5.2 AiiDA-Vibroscopy: all-functional infrared and Raman spectra

QE school 2023 - 4.4 Koopmans spectral functionals: implementation in periodic boundary conditions

QE school 2023 - 4.5 Ab initio many-body perturbation theory

QE school 2023 - 4.1 Koopmans functionals: Basic concepts

QE school 2023 - 4.3 Koopmans functionals in practice: minimisation, screening coefficients, ...

QE school 2023 - 4.2 Koopmans compliance: Towards a functional theory of the spectral density

QE school 2023 - 3.3 Dynamical extension of DFT+U: U(w)

QE school 2023 - 3.4 Successes and failures of DFT+U in ferroic materials

QE school 2023 - 3.5 Phonons and electron-phonon coupling using DFPT+U

QE school 2023 - 3.1 DFT+U and DFT+U+V: Basic concepts and applications

QE school 2023 - 3.2 First-principles calculation of Hubbard parameters using linear-response theory

QE school 2023 - 2.1 Density-functional perturbation theory: Phonons

QE school 2023 - 2.3 Beyond harmonic phonons: Phase diagrams and phase transitions

QE school 2023 - 2.2 Electron-phonon coupling from first-principles

QE school 2023 - 1.4 Maximally localized Wannier functions: theory and recent developments