01:04:32

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

02:28:36

Methods for computational biology and drug discovery

02:34:51

Science writing and science editing - from journals to journalism

57:55

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

01:19:27

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

02:36:20

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

01:02:34

MARVEL Communication open mic session - Nicola Nosengo

04:32

QE school 2023 - 5.4 Concluding remarks

01:12:08

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

59:51

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

01:03:16

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

39:26

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

52:53

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

56:46

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

43:12

QE school 2023 - 4.1 Koopmans functionals: Basic concepts

53:06

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

01:03:34

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

43:43

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

58:52

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

54:00

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

59:48

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

59:47

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

01:11:58

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

01:09:47

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

01:10:27

QE school 2023 - 1.3 Exchange-correlation functionals of DFT

49:15

QE school 2023 - 1.2 Introduction to density-functional theory

12:50

QE school 2023 - 1.1 Welcome

57:15

35 MDL - Emmanouil Kioupakis: Advancing the state of the art in semiconductor technology

59:17

Michael F. Herbst - Julia for Materials Modelling

01:04:06

34 MDL - Claudia Felser: Chirality and Topology

01:04:39

33 MDL - Kristian Sommer Thygesen : Emergent Properties in Flatland

02:14:18

Fascination and industrial value of materials modeling

02:52:28

CECAM-MARVEL Classics in molecular and materials modelling: Antoine Georges and Gabriel Kotliar

01:05:53

32 MDL - Heather Kulik : Materials discovery in challenging spaces with machine learning

05:37

QE tutorial 2022 - Concluding remarks

01:02:58

QE tutorial 2022 - Design of auxiliary systems and connectors for spectroscopy - Matteo Gatti

01:03:44

QE tutorial 2022 - Iron oxides and silicates at extreme conditions - Renata Wentzcovitch

01:29:51

QE tutorial 2022 - Hands-on: Spectral properties of finite and extended systems using the KCW code

46:47

QE tutorial 2022 - KCW: an implementation of Koopmans functionals based on DFPT - Nicola Colonna

01:04:24

QE tutorial 2022 - Hands-on: Spectral properties of finite and extended systems

27:04

QE tutorial 2022 - Accelerating the calculation of Koopmans screening parameters using ML - Schubert

52:34

QE tutorial 2022 - Koopmans functionals in practice - Edward Linscott

44:54

QE tutorial 2022 - Koopmans: Connection with the spectral potential - Andrea Ferretti

17:01

QE tutorial 2022 - Day 2 discussion

01:04:52

QE tutorial 2022 - Phonons and electron-phonon coupling using DFPT+U - Andrea Floris

01:54:24

QE tutorial 2022 - Hands-on: First-principles calculation of Hubbard parameters

01:08:40

QE tutorial 2022 - Hands-on: DFT+U and DFT+U+V: How does it work? - Iurii Timrov & Matteo Cococcioni

27:47

QE tutorial 2022 - Accelerating the calculation of Hubbard parameters using ML - Martin Uhrin

59:20

QE tutorial 2022 - First-principles calculation of Hubbard parameters - Iurii Timrov

57:22

QE tutorial 2022 - DFT+U and DFT+U+V: Basic concepts and applications - Matteo Cococcioni

01:26:40

QE tutorial 2022 - Hands-on: Maximally localized Wannier functions using Wannier90 - Marrazzo & Qiao

01:01:42

QE tutorial 2022 - Maximally localized Wannier functions - Giovanni Pizzi

02:01:55

QE tutorial 2022 - Hands-on: DFT in practice - Nicola Colonna & Iurii Timrov

12:37

QE tutorial 2022 - Quantum ESPRESSO and MaX: Materials Design towards the Exascale - Andrea Ferretti

11:16

QE tutorial 2022 - Materials Cloud and AiiDAlab - Kristjan Eimre

11:22

QE tutorial 2022 - Managing high-throughput workflows with AiiDA - Marnik Bercx

01:02:35

QE tutorial 2022 - Electronic and optical spectra from optimally-tuned functionals - Leeor Kronik

01:13:29

QE tutorial 2022 - Electronic-structure methods for materials science - Nicola Marzari

08:47

QE tutorial 2022 - Welcome

02:21:18

CECAM-MARVEL Classics in molecular and materials modelling: Giorgio Parisi and Marc Mézard