Lectures

← Previous
1
2
3
4
5
6
7
8
9
10
Next →

Marco Fornari

Structuring intuition with theory: The high-throughput way

Watch More... Event Page Details

MARVEL NCCR
May 31, 2017
Watched 621 times.
Public Published
Chris Pickard

Random search as high throughput computation

Watch More... Event Page Details

MARVEL NCCR
May 30, 2017
Watched 584 times.
Public Published
Stefano Sanvito

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

Watch More... Event Page Details

MARVEL NCCR
May 30, 2017
Watched 565 times.
Public Published
Thomas Bligaard

Accelerating high-throughput simulations using machine learning methods

Watch More... Event Page Details

MARVEL NCCR
May 29, 2017
Watched 789 times.
Public Published
Annabella Selloni

Photocatalysis on TiO2: insights from simulations

Watch More... Event Page Details

MARVEL NCCR
May 16, 2017
Watched 1182 times.
Public Published
Stefano Baroni

DFT fundamentals: from theory to practice.

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

Watch More... Event Page Details

MARVEL NCCR
January 16, 2017
Watched 3926 times.
Public Published
Oliviero Andreussi

Solvent and Environment Effects: Continuum Models

Watch More... Event Page Details

MARVEL NCCR
January 24, 2017
Watched 3808 times.
Public Published
Andrea Ferretti

Spectroscopies: Many-Body Perturbation Theory

Watch More... Event Page Details

MARVEL NCCR
January 23, 2017
Watched 3835 times.
Public Published
Ralph Gebauer

Spectroscopies: Time-Dependent DFPT

Watch More... Event Page Details

MARVEL NCCR
January 23, 2017
Watched 3800 times.
Public Published
Michele Ceriotti

Advanced Molecular Dynamics.

Thermostats, Barostats and Nuclear Quantum Effects

Watch More... Event Page Details

MARVEL NCCR
January 23, 2017
Watched 3772 times.
Public Published
Giovanni Pizzi

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

Watch More... Event Page Details

MARVEL NCCR
January 24, 2017
Watched 3763 times.
Public Published
Carlo Cavazzoni

Evolution of Present and Future HPC Architectures

Watch More... Event Page Details

MARVEL NCCR
January 27, 2017
Watched 3899 times.
Public Published
Andrea Marini

Many-Body Perturbation Theory Using the Yambo code

Watch More... Event Page Details

MARVEL NCCR
January 23, 2017
Watched 3892 times.
Public Published
Stefano De Gironcoli, Paolo Giannozzi

Levels & Hierrachy of Parallelism in QE

Watch More... Event Page Details

MARVEL NCCR
January 26, 2017
Watched 3884 times.
Public Published
Lorenzo Paulatto

Vibrational & Magnetic Spectroscopies in QE

IR and RAMAN

Watch More... Event Page Details

MARVEL NCCR
January 20, 2017
Watched 3879 times.
Public Published
Carlo Cavazzoni

Evolution of Paralell Programming Paradigms for Exascale Computing Platforms

Watch More... Event Page Details

MARVEL NCCR
January 27, 2017
Watched 3956 times.
Public Published
Andrea Dal Corso

Phonon calculations and thermodynamics

Watch More... Event Page Details

MARVEL NCCR
January 19, 2017
Watched 4276 times.
Public Published
Davide Ceresoli

Vibrational & Magnetic Spectroscopies in QE

NMR and EPR

Watch More... Event Page Details

MARVEL NCCR
January 20, 2017
Watched 4241 times.
Public Published
Andrea Dal Corso

Linear Response, density-functional perturbation theory

Watch More... Event Page Details

MARVEL NCCR
January 19, 2017
Watched 4305 times.
Public Published
Matteo Cococcioni

Notable failure of approximate DFT and possible remedies. Koopmans, DFT+U

Watch More... Event Page Details

MARVEL NCCR
January 17, 2017
Watched 4310 times.
Public Published