From trust who to trust what. A fresh perspective on trust in the era of blockchain

In the last few years, a remarkable technological revolution has been taking place around the world. Such a technological revolution is not just a means to the end of improving efficiency, but an important end of social order. In this work, I show that blockchain is one important example. I discuss that the success of a disintermediated transaction is conditioned on the level of trust in the rules-of-code. In what follows, the dissertation is organized in three studies. Study 1 is a theoretical paper where I present and discuss a model of how blockchain-like technologies can automate and algorithmically dictate the nurturing of trust. Based on study 1, study 2 is aimed to develop and validate a quantitative scale to measure each component of the proposed trust model. Lastly, study 3 is intended to investigate how telematic equipment can affect individual trusting behavior under condition of information asymmetry. The introduction of black box in the Italian automobile insurance market is the set of this study. Overall, the dissertation offers some major contributions for theory and practice about the dynamics underlying the development of trust in the rising era of blockchain transactions.

Excitonic properties of transition metal oxide perovskites and workflow automatization of GW schemes

The Many-Body-Perturbation Theory approach is among the most successful theoretical frameworks for the study of excited state properties. It allows to describe the excitonic interactions, which play a fundamental role in the optical response of insulators and semiconductors. The first part of the thesis focuses on the study of the quasiparticle, optical and excitonic properties of \textit{bulk} Transition Metal Oxide (TMO) perovskites using a G$_0$W$_0$+Bethe Salpeter Equation (BSE) approach. A representative set of 14 compounds has been selected, including 3d, 4d and 5d perovskites. An approximation of the BSE scheme, based on an analytic diagonal expression for the inverse dielectric function, is used to compute the exciton binding energies and is carefully bench-marked against the standard BSE results. In 2019 an important breakthrough has been achieved with the synthesis of ultrathin SrTiO3 films down to the monolayer limit. This allows us to explore how the quasiparticle and optical properties of SrTiO3 evolve from the bulk to the two-dimensional limit. The electronic structure is computed with G0W0 approach: we prove that the inclusion of the off-diagonal self-energy terms is required to avoid non-physical band dispersions. The excitonic properties are investigated beyond the optical limit at finite momenta. Lastly a study of the under pressure optical response of the topological nodal line semimetal ZrSiS is presented, in conjunction with the experimental results from the group of Prof. Dr. Kuntscher of the Augsburg University. The second part of the thesis discusses the implementation of a workflow to automate G$_0$W$_0$ and BSE calculations with the VASP software. The workflow adopts a convergence scheme based on an explicit basis-extrapolation approach [J. Klimeš \textit{et al.}, Phys. Rev.B 90, 075125 (2014)] which allows to reduce the number of intermediate calculations required to reach convergence and to explicit estimate the error associated to the basis-set truncation.

Data-driven and data-oriented methods for materials science and technologies

The discovery of new materials and their functions has always been a fundamental component of technological progress. Nowadays, the quest for new materials is stronger than ever: sustainability, medicine, robotics and electronics are all key assets which depend on the ability to create specifically tailored materials. However, designing materials with desired properties is a difficult task, and the complexity of the discipline makes it difficult to identify general criteria. While scientists developed a set of best practices (often based on experience and expertise), this is still a trial-and-error process. This becomes even more complex when dealing with advanced functional materials. Their properties depend on structural and morphological features, which in turn depend on fabrication procedures and environment, and subtle alterations leads to dramatically different results. Because of this, materials modeling and design is one of the most prolific research fields. Many techniques and instruments are continuously developed to enable new possibilities, both in the experimental and computational realms. Scientists strive to enforce cutting-edge technologies in order to make progress. However, the field is strongly affected by unorganized file management, proliferation of custom data formats and storage procedures, both in experimental and computational research. Results are difficult to find, interpret and re-use, and a huge amount of time is spent interpreting and re-organizing data. This also strongly limit the application of data-driven and machine learning techniques. This work introduces possible solutions to the problems described above. Specifically, it talks about developing features for specific classes of advanced materials and use them to train machine learning models and accelerate computational predictions for molecular compounds; developing method for organizing non homogeneous materials data; automate the process of using devices simulations to train machine learning models; dealing with scattered experimental data and use them to discover new patterns.

Analysis and development of interface components and procedures for the design and commissioning toolchains in automation systems

The objective of the thesis project, developed within the Line Control & Software Engineering team of G.D company, is to analyze and identify the appropriate tool to automate the HW configuration process using Beckhoff technologies by importing data from an ECAD tool. This would save a great deal of time, since the I/O topology created as part of the electrical planning is presently imported manually in the related SW project of the machine. Moreover, a manual import is more error-prone because of human mistake than an automatic configuration tool. First, an introduction about TwinCAT 3, EtherCAT and Automation Interface is provided; then, it is analyzed the official Beckhoff tool, XCAD Interface, and the requirements on the electrical planning to use it: the interface is realized by means of the AutomationML format. Finally, due to some limitations observed, the design and implementation of a company internal tool is performed. Tests and validation of the tool are performed on a sample production line of the company.