Lectures

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Nicola Colonna

Notable failure of approximate DFT and possible remedies. Hybrids, vdW, ACFDT.

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MARVEL NCCR
January 17, 2017
Watched 0 times.
Public Published
Prof. Steven G. Louie

The Fascinating Quantum World of Two-dimensional Materials: Interaction and Topological Effects

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MARVEL NCCR
July 21, 2017
Watched 187 times.
Public Published
Marco Fornari

Structuring intuition with theory: The high-throughput way

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MARVEL NCCR
May 31, 2017
Watched 186 times.
Public Published
Chris Pickard

Random search as high throughput computation

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MARVEL NCCR
May 30, 2017
Watched 128 times.
Public Published
Stefano Sanvito

High-throughput electronic structure theory: do we need to calculate always everything?

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MARVEL NCCR
May 30, 2017
Watched 125 times.
Public Published
Thomas Bligaard

Accelerating high-throughput simulations using machine learning methods

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MARVEL NCCR
May 29, 2017
Watched 129 times.
Public Published
Prof. Annabella Selloni

Photocatalysis on TiO2: insights from simulations

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MARVEL NCCR
May 16, 2017
Watched 171 times.
Public Published
Stefano Baroni

DFT fundamentals: from theory to practice.

Hohenberg-Kohn-Sham theory; variational principle; Hellman-Feynman theorem and energy derivatives

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MARVEL NCCR
January 16, 2017
Watched 605 times.
Public Published
Oliviero Andreussi

Solvent and Environment Effects: Continuum Models

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MARVEL NCCR
January 24, 2017
Watched 188 times.
Public Published
Andrea Ferretti

Spectroscopies: Many-Body Perturbation Theory

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MARVEL NCCR
January 23, 2017
Watched 230 times.
Public Published
Ralph Gebauer

Spectroscopies: Time-Dependent DFPT

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MARVEL NCCR
January 23, 2017
Watched 203 times.
Public Published
Michele Ceriotti

Advanced Molecular Dynamics.

Thermostats, Barostats and Nuclear Quantum Effects

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MARVEL NCCR
January 23, 2017
Watched 177 times.
Public Published
Giovanni Pizzi

Introduction to AiiDA, the ADES model and the concept of provenance

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MARVEL NCCR
January 24, 2017
Watched 175 times.
Public Published
Carlo Cavazzoni

Evolution of Present and Future HPC Architectures

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MARVEL NCCR
January 27, 2017
Watched 165 times.
Public Published
Andrea Marini

Many-Body Perturbation Theory Using the Yambo code

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MARVEL NCCR
January 23, 2017
Watched 203 times.
Public Published
Stefano De Gironcoli, Paolo Giannozzi

Levels & Hierrachy of Parallelism in QE

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MARVEL NCCR
January 26, 2017
Watched 168 times.
Public Published
Lorenzo Paulatto

Vibrational & Magnetic Spectroscopies in QE

IR and RAMAN

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MARVEL NCCR
January 20, 2017
Watched 235 times.
Public Published
Carlo Cavazzoni

Evolution of Paralell Programming Paradigms for Exascale Computing Platforms

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MARVEL NCCR
January 27, 2017
Watched 165 times.
Public Published
Andrea Dal Corso

Phonon calculations and thermodynamics

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MARVEL NCCR
January 19, 2017
Watched 251 times.
Public Published
Davide Ceresoli

Vibrational & Magnetic Spectroscopies in QE

NMR and EPR

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MARVEL NCCR
January 20, 2017
Watched 246 times.
Public Published