A magnifying glass to elucidate their rise in photovoltaics: atomistic simulations of organic halide perovskites

A magnifying glass to elucidate their rise in photovoltaics: atomistic simulations of organic halide perovskites

Date: June 20, 2023 - at 11.00 AM (Italian time)

Where: Aula P1A, Complesso Paolotti, Via Giambattista Belzoni 7, 35131, Padova

Organic inorganic hybrid halide perovskites (PSCs) have emerged as promising class of materials for solar cells. Thanks to their remarkable optical properties such as high absorption coefficient, tunable bandgap, high charge carrier mobility and low exciton binding energy, PSCs facilitate high power conversion efficiencies (PCE). Indeed, the PCEs of PSCs have rapidly risen since 2009 from 3.8% to a certified 26.2% in 2022. Most of these rapid advances are due to changes in the preparation conditions, however the connection to the underlying processes at the atomic level is basically missing.  Computer simulation can in principle elucidate the atomistic mechanisms behind these phenomena, but the systems involved are highly complex involving multiple species and high activation barriers. Our approach entails the development and application of theoretical and multiscale computational modeling spanning the electronic and atomistic length scales. Classical molecular dynamics (MD) is embedded with ab-initio MD and density functional theory simulations to have an outright description of the physics behind the mechanisms responsible for long-term stability and improvement of the optical properties for PSCs.



conference speakers

Virginia Carnevali

Virginia Carnevali is a scientist in Ursula Röthlisberger’s group at the Institute of Chemical Sciences and Engineering Ecole Polytechnique Federale de Lausanne EPFL, Switzerland. She has research experience in the theory and simulations of structural, electronic, magnetic, optical, transport, and thermal properties of 2D materials, topological materials, thermoelectric materials, and solar cells. Virginia has also developed an interest in researching useful applications of quantum computing to solved condensed matter problems. Her research has focused on understanding the physics and crucial mechanisms that make a material attractive for renewable energy applications. She recently demonstrated – for the first time –that coupling of rotating lone pairs and the vibrational motion is an effective mechanism to achieve ultralow thermal conductivity in crystalline materials. Virginia is currently studying perovskite-based solar cells, one of the most promising photovoltaic solutions because of their efficient solar-power conversion, low cost and simple manufacturing process. Her efforts are aimed at improving the optical performance of this class of materials by seeking effective techniques for defect passivation, phase stabilization, and improved of charge carrier transport at the interfaces.



Modelling and quantifying robustness of interconnected systems: at the crossroad of network science and AI

Modelling and quantifying robustness of interconnected systems: at the crossroad of network science and AI

Date: June 16, 2023 - at 11.00 AM (Italian time)

Where: Aula B, Via Paolotti 9, 35131, Padova

Over the last years, network theory has been revealed to be a convenient and flexible framework to characterize and model the structure and dynamics of complex systems. A wide range of disciplines, from socio-technical to natural sciences, face common questions when their objects of study can be represented as networks. One of them is the robustness and resilience of interconnected systems to perturbations and malfunctions. In this seminar, I will provide a general and comprehensive overview of the main strands of research on network dismantling. Emphasis will be put on how to quantify robustness by combining mathematical techniques and AI-assisted tools.


conference speakers

Oriol Artime

Oriol Artime is a “Margarita Salas” postdoctoral researcher at the University of Barcelona, Spain. Prior to this, he has been a postdoctoral researcher at the Bruno Kessler Foundation, and he holds a PhD from the Institute for Cross-Displinary Physcs and Complex Systems – IFISC. His research primarily deals with topics at the interface between statistical physics and complex systems, with a strong focus on complex network robustness and resilience.



Before and after chatGPT: chances, changes, and opportunities of large language models in research

Before and after chatGPT: chances, changes, and opportunities of large language models in research

Date: May 23, 2023 - at 16.30 (Italian time)

Where: Aula B, Via Paolotti 9, 35131, Padova

We have all come to realize recently that there is a before and after ChatGPT, the algorithms created for the new large “language model”. This is especially true for the fields of AI, CS, Data Science, and ML, but in other ways also for social sciences, humanities, and industry. Many of these changes are relevant to the work we do, and LLMs will change it forever.

In his talk, Dirk will explain the revolutionary ideas behind ChatGPT and their history. He will also give his take on how these new tools change possibilities for research and society, and what to be aware of when using them. He will discuss the worries and concerns as well as the new possibilities emerging every day.


conference speakers

Dirk Hovy

Dirk (left image) is an associate professor at Bocconi’s department of computing sciences in Milan, and director of the Data and Marketing Insight research unit at the Bocconi Center for Data Science and Analytics.

Andrea Pin

Associate Professor of Comparative Public Law, University of Padova.

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Threats to Sustainability under Climate and Societal Change

Threats to Sustainability under Climate and Societal Change

Date: May 12, 2023 - at 11.15 AM (Italian time)

Where: Aula Rostagni, Via Paolotti 9, 35131, Padova

The increasing water demand by human societies raises concerns about the extent to which it is possible to feed the world with the limited freshwater resources of the planet. The emergent competition for water between human uses and environmental needs limits the development of suitable water security scenarios for a sustainable future. Human appropriation of water resources is for large part instrumental to the enjoyment of human rights to food. To what extent can such rights be reconciled with other human needs as well as the needs of Nature? Here we show how humanity is placing unprecedented pressure on the global agricultural system and its water resources while reshaping the patterns of water dependency through teleconnections between consumers and production areas. Through a suite of ecohydrological and socio-environmental analyses, we evaluate the biophysical and social justice limits to the sustainable use of water resources through a variety of perspectives accounting for hydrologic constraints, environmental needs, societal resilience, food security, and globalization.



conference speaker

Paolo D’Odorico

Paolo D’Odorico is Professor of Hydrology at the Department of Environmental Science, Policy, and Management at UC Berkeley. He has research expertise in Ecohydrology, Surface Hydrology, Ecosystem Ecology, Aeolian Processes, Desertification, Stochastic Nonlinear Environmental Dynamics and Water and Food Security, with about 300 publications in these topics. Prof. D’Odorico’ research focuses on the role of hydrological processes in the functioning of terrestrial ecosystems and his work has highlighted important nonlinearities in the coupling between soil moisture dynamics and plant water stress, biogeochemical cycling, land-atmosphere interactions, plant community composition, and soil susceptibility to wind erosion. Prof. D’Odorico is currently investigating the globalization of water through virtual water trade and international land investments, and its impact on water equity, societal resilience, environmental stewardship, and food security. Prof. D’Odorico has been awarded the Hydrological Sciences Medal (American Meteorological Society), the Paul Witherspoon Lecture Award (American Geophysical Union), the Sustainability Science Award (Ecological Society of America). He is a Fellow of the American Geophysical Union, American Association for Advancement of Science,  and The John Simon Guggenheim Memorial Foundation.



Modelling weather & climate: challenges and applications.

Modelling weather & climate: challenges and applications.

Date: March 10, 2023 - at 02.30 PM (Italian time)

Where: Aula Rostagni, Via Paolotti 9, 35131, Padova

Understanding and predicting the weather and climate variability is fascinating as much as challenging. Here we highlight some of the key aspects associated with the study of this subject, and describe the hierarchy of models that are currently employed to disentangle such a complex problem. The potential applications will also be discussed, with a specific focus on the energy sector.



conference speaker

Dr. Giacomo Masato, Ph.D

Giacomo graduated in physics at the University of Padua in 2006, with a thesis on the Rossby waves vertical propagation and their role in the onset of the Sudden Stratospheric Warmings. He then moved to the UK where he continued his studies at the Department of Meteorology (University of Reading). He spent many years studying the large-scale circulation at the mid-latitudes and he collaborated, among others, with Prof Sir Brian Hoskins, one of the world leading figures in atmospheric physics. In 2015 he moved to the private sector, first in the UK and subsequently in Italy. He now works for Illumia, a retailer company within the energy space, and leads the analytical department of the firm, where his team develops statistical and fundamental models to predict the weather and energy behaviour.