Program Week One
DAY 1: Monday, 19 january
| 08:30-09:45 | Registration (Lobby of the Building at Republica 239) |
|---|---|
| 09:45-10:00 | Introduction (Republica 250, Room R-4-301) |
| 10:00-10:45 | Introduction to HPC and Cluster computing (S.C.), (Republica 250, Room R-4-301) slides |
| 10:45-11:00 | Break |
| 11:00-11:45 | Introduction to Linux (S.C.) |
| 11:45-12:45 | Laboratory: Crash Course on Linux |
| 12:45-14:00 | Lunch Break |
| 14:00-14:45 | Floating Points Numbers: How to work with them correctly and efficiently (S.C.) slides |
| 14:45-15:45 | Introduction to Linux (S.C.) slides |
| Introduction to Programming (S.C.) slides | |
| 15:45-16:00 | Break |
| 16:00-18:00 | Laboratory: Install compilers and programming tools on your workstation |
DAY 2: Tuesday, 20 january
| 09:00-9:45 | Modern architectures for HPC computation slides |
|---|---|
| 09:45-10:45 | Optimization Techniques (S.C.) slides |
| 10:45-11:00 | Break |
| 11:00-13:00 | Laboratory: Test Compilers on IEEE floating point arithmetic |
| Laboratory: Optimize simple code provided by lab | |
| 13:00-14:00 | Lunch Break |
| 14:00-14:45 | Introduction to MPI slides |
| 14:45-15:45 | Introduction to Linux Cluster slides |
| 15:45-16:00 | Break |
| 16:00-18:00 | Laboratory: Install MPI libraries and run parallel codes on your workstation |
| Laboratory: Set up Mini Cluster to Test MPI |
DAY 3: Wednesday, 21 january
| 09:00-10:30 | The Art of Benchmarking slides |
|---|---|
| 10:30-11:00 | Laboratory: Compare DGEMM performance using different library |
| 11:00-11:15 | Break |
| 11:15-12:45 | Laboratory: Compare DGEMM performance using different library |
| 12:45-14:00 | Lunch Break |
| Materials wokshop | |
| 14:00-14:25 | Opening Ceremony |
| 14:25-15:10 | Opening Talk: Sandro Scandolo: Exploring planetary interiors with ab-initio molecular dynamics slides |
| 15:10-15:40 | coffee break |
| 15:45-16:20 | Erik Holström: How to understand complex materials using first principles DFT calculations |
| 16:20-16:55 | Javier Fernández: Mechanism of Surface Reactions: Insights from first principles calculations |
| 16:55-17:30 | Paolo Giannozzi: Design of Phthalocyanine-semiconductor hybrid interfaces: a theoretical DFT investigation slides |
| 17:30-18:05 | Jorge Lasave: Why is ADP antiferroelectric while it´s cousin KDP is ferroelectric? |
DAY 4: Thursday, 22 january
| 09:00-9:45 | F. Busnengo: Adsorption of diatomic molecules on metal surfaces from first principles slides |
|---|---|
| 09:45-10:30 | Antonio José Roque da Silva: Ab Initio calculations of transport properties of large, disordered one-dimensional systems |
| 10:30-11:00 | coffee break |
| 11:00-11:35 | Anderson Janotti: Doping and defects in oxide semiconductors slides |
| 11:35-12:10 | Roberto Hiroki Miwa: Bismuth on silicon surface and the formation of iron-silicide (self-organized) stripes |
| 12:10-12:45 | Jaime Henríquez |
| 12:45-14:00 | Lunch |
| 14:00-14:35 | R. Migoni: Ab-initio supported model simulation of ferroelectric materials slides |
| 14:35-15:10 | Damian Scherlis: First-principles molecular dynamics simulations at solid-liquid interfaces with a continuum solvent slides |
| 15:10-15:45 | coffee break |
| 15:45-16:20 | Jorge Osorio: Magnetism, percolation and doping in oxides slides |
| 16:20-16:55 | Eduardo Menéndez: Ab initio molecular dynamics of CdTe oxides slides |
| 16:55-17:30 | Alexander Hernández: Ab initio calculations in novel superconductors slides |
DAY 5: Friday, 23 january
| 09:00-9:45 | Marc Segovia: DFT on atmospheric chemistry slides |
|---|---|
| 09:45-10:30 | Danilo González: Nanobiology -The Next Frontier for Molecular Simulations |
| 10:30-11:00 | coffee break |
| 11:00-11:35 | Gonzalo Gutiérrez: Ab-initio molecular dynamics for amorphous alumina and spin dynamics for magnetic systems |
| 11:35-12:10 | Ramiro Arratia: Luminescent Clusters for new materials. A relativistic DFT study |
| 12:10-12:45 | Walter Orellana: Self-organized Fe nanowires on semiconducting surfaces |
| 12:45-14:00 | Lunch |
| 14:00-14:35 | Stefano Fabris: Understanding the structure and function of self-assembled organometallic nanomaterials by computer modeling |
| 14:35-15:10 | Javier Montoya: New materials from high pressure |
| 15:10-15:45 | coffee break |
| 15:45-16:20 | Germán Miño: Vibrational and electronic properties of nucleophile/electrophile pairs inside capped carbon nanotubes |
| 16:20-16:55 | poster session |
| 16:55-17:30 | poster session |
| 17:30-18:05 | poster session |