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Speaker List

Displaying 27 speakers out of 27
ALESSANDRO STROPPA (CNR-SPIN, Italy)
Introduction to Magnetism
ANDREA URRU (ETH, SWITZERLAND), IURII TIMROV (EPFL, SWITZERLAND)
Hand-on: DFPT
ANTON KOKALJ (JOŽEF STEFAN INSTITUTE, SLOVENIA)
Hands-on: SCF calculations + post-processing – part 2. Exercises.
ARI PAAVO SEITSONEN (École Normale Supérieure, Paris)
Hands-on: Optimizations, NEB. Automating the workflow (PWTK)
ELISA MOLINARI (MAX - Centre of Excellence, Italy)
Closing remarks
FRANCESCO MAURI (Sapienza University of Rome, Italy)
Special guest lecture - Phonons and second-order structural phase transitions in anharmonic quantum crystals
IURII TIMROV (EPFL, Switzerland)
Time-dependent density-functional perturbation theory
Hands-on: TDDFPT
IURII TIMROV (EPFL, SWITZERLAND)
Hands-on: Functionals
IVAN CARNIMEO (SISSA, Italy)
Hands-on: QE on HPC and GPU systems
MARNIK BERCX, EPFL SWITZERLAND
High-throughput computing with the AiiDA platform.
MARNIK BERCX, EPFL, SWITZERLAND
Hands-on. AiiDA
NICOLA SPALDIN (ETH Zurich, Switzerland)
Special guest lecture – Finding happiness and saving the world with electronic structure calculations
OSCAR BASEGGIO (SISSA, Italy)
Hands-on: TDDFPT
PAOLO GIANNOZZI (University of Udine, Italy)
Charge densities and potentials. Systems in 0-1-2-3D. Metals vs. insulators. Non-magnetic vs. magnetic systems.
PIETRO BONFA' (University of Parma, Italy)
Quantum ESPRESSO on HPC and GPU systems: parallelization and hybrid architectures
Hands-on: QE on HPC and GPU systems
PIETRO DELUGAS (SISSA, Italy)
Hands-on: Introduction to Magnetism
PIETRO DELUGAS (SISSA, ITALY)
Hands-on: How to compile Quantum ESPRESSO. SCF calculations + post-processing – part 1. XCrySDen, PWgui, QE-emacs-modes, and PWTK
PIETRO DELUGAS (SISSA, ITALY), ANTON KOKALJ (JOŽEF STEFAN INSTITUTE, SLOVENIA)
Forces, stresses, geometry optimisation. Chasing saddle points: the NEB method
RALPH GEBAUER (ICTP, Italy)
QUANTUM ESPRESSO: overview and basic functionalities. The self-consistent cycle. PBC: supercells and k-point sampling
RICCARDO BERTOSSA (SISSA, ITALY)
Hands-on: AIMD/CPMD
ROBERTO CAR (Princeton University, USA)
Special guest lecture: Machine learning based ab initio molecular dynamics
SANDRO SCANDOLO (ICTP, Italy)
AIMD/CPMD
STEFAN BLÜGEL (Peter Grünberg Institut and Institute for Advanced Simulation, Germany)
Special guest lecture - Ab initio Spinorbitronics — how the tiny spin-orbit interaction saves energy in information processing
STEFANO BARONI (SISSA, Italy)
Density-functional perturbation theory: phonons
STEFANO BARONI (SISSA, ITALY), RALPH GEBAUER (ICTP, ITALY)
Opening remarks and general instructions
STEFANO DE GIRONCOLI (SISSA, Italy)
Advanced functionals: higher accuracy (hybrids), strongly correlated materials (DFT+U), weakly bound systems (van der Waals)
XINGAO GONG (Fudan University, China)
Special guest lecture – Computational Studies of Interface in Photonvaltaic Device

Organizers

Stefano Baroni (SISSA), Ralph Gebauer (ICTP), Anton Kokalj (Jožef Stefan Institute), Wei Ren (Shanghai University), Alessandro Stroppa (CNR-Spin), Local Organisers: Ivan Girotto (ICTP), Ivan Carnimeo (SISSA)