Data Science

Data science, also known as data-driven science, is an interdisciplinary field about scientific methods, processes and systems to extract knowledge or insights from data in various forms, either structured or unstructured, similar to Knowledge Discovery in Databases. Data science is a “concept to unify statistics, data analysis and their related methods” in order to “understand and analyze actual phenomena” with data. It employs techniques and theories drawn from many fields within the broad areas of mathematics, statistics, information science, and computer science, in particular from the subdomains of machine learning, classification, cluster analysis, data mining, databases, and visualization.

AI4Science is a multidisciplinary approach that leverages machine learning algorithms, data-driven models, and advanced computational techniques to solve complex problems traditionally addressed through experimental or purely theoretical methods. In materials science, AI is being utilized to accelerate the discovery, design, and optimization of materials. Our research focuses on developing deep learning-based approaches to efficiently analyze vast datasets, predict material properties and behaviors, and discover novel materials with specific, targeted properties.

Chemical Language Models for Molecular Property Prediction
Language Model Adaptation for Materials Science