See a map of all the places I've given a talk!
Talk, Warwick Centre for Predictive Modelling, Warwick University , UK
This was an invited seminar in which I gave an introduction to muon science and briefly presented the the computational models and associated tools that are being developed at the Rutherford Appleton Laboratory (RAL).
Talk, Muon Group, Paul Scherrer Institute, Switzerland
This was a seminar that I gave during my visit to the Paul Scherrer Institute (PSI), which hosts one of the two muon sources in Europe. The visit was part of my Software Sustainability Institute fellowship. In the seminar, I presented the computational models and associated tools that are being developed at the Rutherford Appleton Laboratory (RAL), and discussed some potential avenues for collaborative work- centred on muon software development- between PSI and RAL.
Poster, Warsaw University of Technology, Warsaw, Poland
In this poster, I presented the computational modelling work that I had been doing on the lithium amide-imide solid solution. The work focused on understanding the structure of this solid solution and on how modelling could help interpret experimental results.
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.
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.
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.
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.
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.
Invited talk - Career Experience, 2016 Careers Event Day - Queen's University Belfast, Belfast, UK
As an alumni of Queen’s University Belfast - where I did my PhD in Theoretical Physics - who has had an somehow varied experience after his PhD, I was invited to tell my story during the 2016 Careers day.
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.
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.
Talk, Challenges in Physical Chemistry and Nanoscience (ISACS2), Budapest, Hungary
We used hybrid exchange density functional theory to study the wide band gap chalcopyrite CuAlS2 and its potential applications as a photovoltaic material.
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
Talk, 2008 MRS Spring Meeting, San Francisco, USA
In this work we used DFT to study the Magneli phases, which oxigen-defective structures that appear in rutile, and proposed a mechanism for their formation
Talk, Towards reality in nanoscale materials, Levi, Finland
In this work we used DFT to study the stability of some oxigen-defective structures in rutile, and propose how they may lead to the formation of the Magnieli phases.
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)