Talks and presentations

See a map of all the places I've given a talk!

NOMAD Summer

September 24, 2018

Poster, CECAM, Lausanne, Switzerland

In this poster, I presented a summary of the computational methods that we had developed so far to estimate the muon stopping sites in crystalline materials. The poster presented the Unperturbed Electrostatic Potential method, our ab initio-based method and also the new methods based on Tight-Binding calculations.

Computer Simulations for Interpreting µSR Experiments: Beyond DFT

July 17, 2018

Talk, The Cosener’s House, The Cosener’s House, Abingdon, UK

In this work, I discussed the computational methods that we had developed so far to estimate the muon stopping site in crystalline materials. The key new concept is the development of methods based on calculations other than ab-initio calculations. The idea is that the new calculations are computationally faster than the purely ab initio ones. One of the methods that I have tested is the DFT-based Tight-Binding.

Simulaciones Computacionales en la Interpretación de Experimentos a Gran Escala: el Caso de los Muones

April 20, 2018

Talk, Instituto de Física Rosario (IFIR), Rosario, Argentina

En esta charla presenté muy brevemente al Laboratorio Rutherford Appleton y a describí como se generan y se usan las partículas subatómicas denominadas muones. Los experimentos con muones se utilizan en áreas muy variadas, que van desde química orgánica hasta física de semiconductores. El foco de esta charla fue la presentación de una serie de métodos computacionales que hemos desarrollado para ayudar en la interpretación de los diferentes tipos de experimentos con muones. Estos métodos combinan cálculos de primeros principios con técnicas de aprendizaje automatizado (machine learning), y nos han permitido identificar parámetros que son cruciales para los experimentos con muones, tales como el sitio de implante del muon en estos experimentos.

Computer Simulations for Interpreting μSR Experiments

March 22, 2018

Talk, The 2018 ISIS Muon Spectroscopy Training School, Harwell, UK

In this work, I presented the key concepts and the main approximations used in our computer models, and also discussed why some of these approximations are relevant to muon experiments. In particular, I talked about DFT and how it can be used to study muonated molecular and crystalline systems. In particular, I presented a method that we are developing to predict the muon stopping sites in crystalline materials.

Computational Prediction of Muon Stopping Sites in Silicon

June 30, 2017

Talk, The 14th International Conference on Muon Spin Rotation, Relaxation and Resonance, Sapporo, Japan

In this work, I focused on the paramagnetic states formed by muons in semiconductors. In particular, I revisited the case of muons in pure Si, and use a combination of computational methods to estimate the muon stopping site and the temperature dependance of the muon’s hyperfine parameters.

Combining MuSR and DFT

March 16, 2016

Talk, 2016 Muon Spectroscopy Training School, Rutherford Appleton Laboratory, Harwell, Oxfordshire, UK

This talk describes how DFT calculations have been used to understand results from muon experiments. The talk describes the status of computer simulations applied to MuSR experiments and which are the main problems and challenges that need to be addressed. Essentially, I presented a summary of the main ideas behind DFT and how this technique has been used in combination with muon experiments.

An Ab Initio Study of CuGaSe2(001) Surface

August 29, 2010

Talk, 3rd EuChemMS Chemistry Congress, Nuremberg, Germany

In this work we investigated the CuGaSe2 (001) polar surface under a variety of growth conditions using ab initio theoretical studies.

The Electronic Structure of the Ti4O7 Magneli Phase

July 04, 2009

Talk, Int’l Union of MaterialsResearch Societies - International Conference in Asia 2009, Suntec International Convention Centre, Singapore

In this work we used DFT to study the electronic structure of the Ti4O7 Magneli phase. We proposed a model to explain the unusual behaviour of the electronic structure of this this phase as a function of temperature

Stability of Sr adatom model structures for SrTiO3(001) surface reconstructions

September 04, 2005

Talk, 23rd European Conference on Surface Science, Berlin, Germany

In this work we studied the atomic scale structure of the (001) surface of Strontium Titanate. We proposed a model to explain a set of experimentally observed reconstructions of the (001) surface of strontium titanate (Kubo and Nozoye 2003 Surf. Sci. 542 177)