INCT Materials Informatics Meeting 2025

02/07/2025 and 03/07/2025

Venue

The event will be held at the new Ilum living center, on the main campus of the Brazilian Center for Research in Energy and Materials (CNPEM). The CNPEM is located in Campinas, São Paulo State in Brazil. CNPEM is a renowned research center, which houses the Ilum School of Science and four national laboratories specializing in areas such as synchrotron light, biosciences, nanotechnology, and biorenewables, making it a premier destination for cutting-edge scientific research and development.

Organizing committee

Adalberto Fazzio (Ilum/CNPEM).
James Moraes de Almeida (Ilum/CNPEM).

Agenda

Speakers

Antonio Augusto Alves Junior – Base de dados do INCT-Materials Informatics.

Alberto Torres Riera Junior – Machine Learning Potential for the Structural properties of Hematite.

Augusto de Lelis Araújo – Twisted Homo- and heterobilayers: A high-throughput DFT database.

Marcelo Albuquerque – Less is more: how choosing data properly influences machine learning-based outcomes?

Amauri Jardim de Paula – Incorporando o grandes modelos de linguagem no processo de análise da literatura de ciências dos materiais.

João Nuno Barbosa Rodrigues – Discovering new materials — a conversation between experiments, high-throughput calculations and machine learning methods.

Lídia Carvalho Gomes – Defeitos em semicondutores para energias renováveis: Explorando a fase pi do SnS.

Tutorial 1: George Trenins, Hannah Bertschi, Jorge Castro – Simulating nuclear quantum effects with path integral methods.

Tutorial 2: Mariana Rossi, Zekun Lou, Paolo Lazzaroni – Machine learning methods in atomistic simulations: basics and predicting the electronic structure.

Tutorial 3: Krystof Brezina, Elia Stocco, Shubham Sharma – Machine learning interatomic potentials – active learning techniques.