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Speaker List

Displaying 27 speakers out of 27
A. DAL CORSO (International School for Advanced Studies SISSA-ISAS, Trieste)
Linear Response, density-functional perturbation theory.
Phonon calculations and thermodynamic.
A. DAL CORSO, L. ISAEVA AND M. PALUMBO (International School for Advanced Studies SISSA-ISAS, Trieste)
Hands-on: DFPT and Phonon calculations.
Hands-on: DFPT, Phonons Calculations and QHA
A. FERRETTI (Centro S3, CNR-Istituto Nanoscienze, Modena)
Spectroscopies: Many-Body Perturbation Theory.
ANDREA MARINI (ISM-CNR, Rome)
GW and MBPT calculations using QE and Yambo
Many-Body Perturbation Theory Using the Yambo code
C. CAVAZZONI (CINECA)
Evolution of Present and Future HPC Architectures
Evolution of Paralell Programming Paradigms for Exascale Computing Platforms
D. CERESOLI (Istituto di Scienze e Tecnologie Molecolari, CNR-Milan)
Vibrational & Magnetic Spectroscopies in QE: NMR and EPR
Hands-on: Vibrational & Magnetic Spectroscopies in QE: NMR and EPR
G. PIZZI (EPFL, Lausanne)
Introduction to AiiDA, the ADES model and the concept of provenance
G. PIZZI, F. GARGIULO, S. HUBER, L. KAHLE, S. WAYCHAL (THEOS and MARVEL, EPFL, Lausanne)
Hands-on: Introduction to AiiDA & browsing through the graph
Hands-on: Running SCF Calculations in QE using AiiDA
Hands-on: Querying AiiDA Data to Show/Discover Trends in the Simulations
Hands-on: AiiDA Workflows
Hands-on: AiiDA Workflows
Hands-on: Setting up AiiDA in your computer, Writing a New Plugin for AiiDA
GIANNOZZI, P. (University of Udine)
Hands-on: Ab-initio Molecular Dynamics: starting the dynamics, computing averages
Hands-on: Ab-initio Molecular Dynamics: computing correlations and thermodynamic properties, using thermostats
L. PAULATTO (IMPMC -U. Pierre and Marie Curie Paris VI)
Vibrational & Magnetic Spectroscopies in QE: IR and RAMAN
Hands-on: Vibrational & Magnetic Spectroscopies in QE: IR and RAMAN
M. CERIOTTI (EPFL STI IMX COSMO Lausanne)
Advanced Molecular Dynamics. Thermostats, Barostats and Nuclear Quantum Effects
M. CERIOTTI, R. PETRAGLIA (EPFL STI IMX COSMO Lausanne)
Hands-on: Advanced Molecular Dynamics using i-PI and QE
M. COCOCCIONI (Ecole Polytechnique Federale de Lausanne, EPFL)
Notable failure of approximate DFT and possible remedies. Koopmans, DFT+U
M. COCOCCIONI, N. COLONNA (Ecole Polytechnique Federale de Lausanne, EPFL)
Hands-on: Advanced DFT Functionals
Hands-on: Advanced DFT Functionals
N. COLONNA (Ecole Polytechnique Federale de Lausanne, EPFL)
Notable failure of approximate DFT and possible remedies. Hybrids, vdW, ACFDT.
O. ANDREUSSI (EPFL, Lausanne)
Solvent and Environment Effects: Continuum Models
O. ANDREUSSI, I. TIMROV (EPFL, Lausanne)
Hands-on: Environment Effects (Solvation, Electrochemistry, PBC) via Continuum Models
P. GIANNOZZI (University of Udine)
DFT hands on: total energy scf calculations, optimizations, bands, dos, and post-processing; insulators vs metals (k-points); SCs: defects, isolated systems, surfaces.
Car-Parrinello Molecular Dynamics: adiabaticity, metals, thermostats and barostats, correlation times and averages
PRESENTED BY IURII TIMROV
DFT hands on: total energy scf calculations, optimizations, bands, dos, and post-processing; insulators vs metals (k-points); SCs: defects, isolated systems, surfaces.
R. GEBAUER (ICTP, Trieste)
Implementation of DFT in QE: PPs, PWs, FFT, k-points.
Spectroscopies: Time-Dependent DFPT.
R. GEBAUER, I. TIMROV (ICTP, Trieste, EPFL, Lausanne)
Hands-on: Time-Dependent DFPT.
R. INNOCENTE (International School for Advanced Studies SISSA-ISAS, Trieste)
Docker Containers, Compiling and Running in a Container
S. BARONI (SISSA and DEMOCRITOS National Simulation Center - Trieste)
DFT fundamentals: from theory to practice. Hohenberg-Kohn-Sham theory; variational principle; Hellman-Feynman th and energy derivatives.
S. DE GIRONCOLI, P. GIANNOZZI (SISSA, University of Udine)
Levels & Hierrachy of Parallelism in QE.
Hands-on: Levels & Hierarchy of Parallelism in QE.
S. DE GIRONCOLI, C. CAVAZZONI (SISSA, CINECA)
Open Laboratory
Open Laboratory
S. SCANDOLO (ICTP Trieste)
Basics of ab-initio Molecular Dynamics: dynamics on the Born-Oppenheimer surface, energy conservation, ensembles, thermostats and barostats
SCANDOLO, S. (ICTP)
Car-Parrinello Molecular Dynamics: adiabaticity, metals, thermostats and barostats, correlation times and averages

Organizers

Stefano Baroni (SISSA), Matteo Cococcioni (EPFL), Stefano de Gironcoli (SISSA), Andrea Ferretti (CNR-NANO), Paolo Giannozzi (University of Udine), Nicola Marzari (EPFL), Local Organisers: Ralph Gebauer, Ivan Girotto

Co-sponsors