Lectures

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Prof. Emily A. Carter

Quantum Simulations of Sustainable Energy Materials

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MARVEL NCCR
June 17, 2019
Watched 109 times.
Public Published
Stefano Baroni

Density-functional perturbation theory: forces, response functions, phonons, and all that (Part 1)

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MARVEL NCCR
July 22, 2009
Watched 458 times.
Public Published
Nicola Colonna

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

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MARVEL NCCR
January 17, 2017
Watched 297 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 598 times.
Public Published
Marco Fornari

Structuring intuition with theory: The high-throughput way

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MARVEL NCCR
May 31, 2017
Watched 437 times.
Public Published
Chris Pickard

Random search as high throughput computation

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MARVEL NCCR
May 30, 2017
Watched 429 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 388 times.
Public Published
Thomas Bligaard

Accelerating high-throughput simulations using machine learning methods

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MARVEL NCCR
May 29, 2017
Watched 512 times.
Public Published
Prof. Annabella Selloni

Photocatalysis on TiO2: insights from simulations

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MARVEL NCCR
May 16, 2017
Watched 559 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 2389 times.
Public Published
Oliviero Andreussi

Solvent and Environment Effects: Continuum Models

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MARVEL NCCR
January 24, 2017
Watched 1686 times.
Public Published
Andrea Ferretti

Spectroscopies: Many-Body Perturbation Theory

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MARVEL NCCR
January 23, 2017
Watched 556 times.
Public Published
Ralph Gebauer

Spectroscopies: Time-Dependent DFPT

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MARVEL NCCR
January 23, 2017
Watched 606 times.
Public Published
Michele Ceriotti

Advanced Molecular Dynamics.

Thermostats, Barostats and Nuclear Quantum Effects

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MARVEL NCCR
January 23, 2017
Watched 557 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 459 times.
Public Published
Carlo Cavazzoni

Evolution of Present and Future HPC Architectures

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MARVEL NCCR
January 27, 2017
Watched 434 times.
Public Published
Andrea Marini

Many-Body Perturbation Theory Using the Yambo code

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MARVEL NCCR
January 23, 2017
Watched 589 times.
Public Published
Stefano De Gironcoli, Paolo Giannozzi

Levels & Hierrachy of Parallelism in QE

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MARVEL NCCR
January 26, 2017
Watched 477 times.
Public Published
Lorenzo Paulatto

Vibrational & Magnetic Spectroscopies in QE

IR and RAMAN

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MARVEL NCCR
January 20, 2017
Watched 658 times.
Public Published
Carlo Cavazzoni

Evolution of Paralell Programming Paradigms for Exascale Computing Platforms

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MARVEL NCCR
January 27, 2017
Watched 468 times.
Public Published