Wednesday 2	Thursday 3	Friday 4
9:00-9:30	REGISTRATION	Poster-1	Poster-2
9:30-10:00	OPENING	Álvaro Mombrú	Susana Ramos
10:00-10:30	C O F F E   B R E A K
10:30-11:20	Pablo Ordejon	Andrei Postnikov	Sergio Koval
11:20-12:10	Eduardo A. Menendez	Lara Kühl Teles	Verónica Vildosola
12:10-14:00	A L M U E R Z O - L U N C H
14:00-14:50	Verónica Ganduglia Pirovano	Diego Venegas Yazigi	Gonzalo Gutierrez
14:50-15:40	Ricardo Faccio	James Chelikowsky	Walter Orellana
15:40-16:10	C O F F E   B R E A K
16:10-17:00	Niels Christensen	Lucy V. Assali	Stefaan Cottenier
17:00-17-20	Mariana Weissmann	Helena Petrilli	CLOSING REMARKS
17:20-18:00

 

Tentative titles of the talks

Wednesday
- Pablo Ordejon: Transport in nanostructures: first principles and multi-scale approaches.
- Eduardo Menendez: Calculation of the elastic stiffness tensor of hydroxyapatite and fluorapatite.
- Verónica Ganduglia Pirovano: Oxygen defect formation in ceria and its "non-innocent" role as support for oxidation catalysts.
- Ricardo Faccio: Mechanical and electronic properties of edge doped graphene nanoribbons
- Niels Christensen: Theoretical band-gap design of semiconducting nitride alloys containing indium.
- Mariana Weissmann Electronic and magnetic properties of the different phases of Ti4O7 from density functional theory.

Thursday
- Álvaro Mombrú: Infrared absorbing molecular assemblies.
- Andrei Postnikov: Understanding vibration modes in mixed and complex semiconductors.
- Lara Kühl Teles: New developments and results by using LDA-1/2 method for gap correction: application to complex systems and nano-systems.
- Diego Venegas Yazigi: DFT calculations on polioxometalates. Structural, magnetic and electronic descriptions
- James. R. Chelikowsky: Quantum algorithms for bridging the nano to macro-scale
- Lucy V. C. Assali: Physical properties of defects and impurities in semiconductors.
- Helena Petrilli: Intriguing magnetic behavior of Mn nanowires on Fe(001) surface.

Friday
- Susana Ramos: Cohesive and electronic properties of Ni-(In, Sn) intermetallics: ab-initio database and systematics.
- Sergio Koval: First-principles studies of hydrogen-bonded ferroelectrics and antiferroelectrics
- Verónica Vildosola: Ab-initio approach to strongly correlated materials: an LDA+DMFT study of Fe-based superconductors and Pyrochlore Molybdates.
- Gonzalo Gutierrez: Thermal stability and dynamical properties of Ti3 SiC2 (0001) surfaces at high temperatures: First-principles calculations.
- Walter Orellana: Carbon nanotubes - metal porphyrins supramolecular complexes for the oxygen reduction: Density functional calculations.
- Stefaan Cottenier: Computational materials design for electricity generation in the 22nd century.