# Presenting BigDFT

A fast and precise DFT wavelet code

Visit the gallery of available presentations, or download them directly from the list below.

- Warwick Presentation Luigi Genovese, October 2017
- ICTP Presentation Thierry Deutsch, January 2018

## CECAM tutorial — Multiscale Modelling Methods for Applications in Material Science (16-20 September 2013, Jülich, Germany)

- BigDFT - An introduction (Thierry Deutsch)
- Hands On (Thierry Deutsch)

## CECAM tutorial — Atomistic and molecular simulations on massively parallel architectures (16-19 July 2013, Paris, France)

- BigDFT - An introduction (Thierry Deutsch)

## Electronic Structure Calculation Methods on Accelerators (February 6-8 2012, Oak Ridge, USA)

- Daubechies wavelets as a basis set for density functional pseudopotential calculation
- BigDFT approach to High Performance Computing (Luigi Genovese)
- All you need to know about BigDFT (Damien Caliste)

## CECAM tutorial — Daubechies Wavelets in Electronic Structure Calculation (19-21 October 2011, Grenoble, France)

- Welcome to BigDFT code tutorial
- Electronic Structure Calculations, DFT and its Modern Implementations
- From wavelet theory to the BigDFT code
- Poisson Solvers with Interpolating Scaling Functions: Wavelets for Green's functions
- BigDFT code structure. User and Developer's viewpoints
- Multilevel parallelization in BigDFT
- BigDFT approach to High Performance Computing
- BigDFT - linear scaling
- Some applications of the BigDFT code
- Charge Analysis: Atoms in Molecules
- Enhanced Splined Saddle method
- Structure prediction with the minima hopping method
- XANES calculation with BigDFT
- Linking of BigDFT with Wannier90
- OpenCL: Programming Heterogeneous Architectures
- BigDFT Code Overview, Future Perspectives

## Workshop — First Yarmouk School for computational condensed matter systems (31st October 2010, Irbid, Jordan)

## Workshop — Numerical Methods in Density Functional Theory (23-25 July 2008, TU Berlin, Germany)

- The version of the BigDFT package for (partially) periodic system (Alexey Neelov)
- Numeric Methods in Density Functional Theory (Luigi Genovese)
- Daubechies wavelet as a basis set for DFT (Thierry Deutsch)

## CECAM tutorial — Wavelets in electronic structure (26-30 November 2007, Lyon, France)

- Tutorial program
- First lecture (Day 1, Stefan Goedecker)
- Introduction to Multi-Resolution Analysis (Day 2, Reinhold Schneider, Fritz Krüger)
- Daubechies Wavelets, Interpolating Scaling Functions and Applications on PDEs (Day 2, Reinhold Schneider, Fritz Krüger)
- Accuracy, Convergence and Adaptivity of MRA's (Day 2, Reinhold Schneider)
- Daubechies wavelet basis in BigDFT: preconditioning and the magic filter approximation for potential energy (Day 3, Alexey Neelov)
- Introduction to the BigDFT library (Day 3, Damien Caliste)
- Poisson Solver, Pseudopotentials, Atomic Forces in the BigDFT code (Day 3, Luigi Genovese)
- BigDFT - performance and capabilities of the cubic version (Day 4, Luigi Genovese)