Crystals Meet Artificial Intelligence

In this meeting, we will explore the impact of artificial intelligence (AI) and machine learning methods in the area of crystal engineering, comparing and contrasting with more established methods. The meeting will feature talks and posters that explore the future possibilities of AI methods in crystal engineering, as well as the current state-of-the-art, considering the impact of emerging technologies such as large language models and new computing architectures, such as quantum computers. We will discuss how AI methods might help researchers design crystals for pharmaceutical and functional purposes, as well as more fundamental topics such as the insights that AI can bring into crystal packing forces. We will also explore the limitations of AI, and the central question of its strengths and weaknesses when compared to more traditional approaches of human knowledge and physics-based computational predictions.

The meeting will be structured to appeal to crystal engineering researchers who are already applying AI, as well as those who are not but would like to learn more about this topic. The meeting would also be suitable for AI researchers who are interested in entering the field of crystal engineering. While AI and machine learning will be a key thread throughout the meeting, we will also feature talks and posters on other topics in both experimental and computational crystal engineering, with the overall aim of increasing dialogue and collaboration between these important communities.