Workshop on AI/ML for Chemistry and Materials at LBNL

The primary goal of this workshop is to explore the integration of artificial intelligence/machine learning (AI/ML) with chemical and materials science research at LBNL. We aim to identify current scientific challenges, address gaps, and foster the development of innovative AI/ML applications in these fields, in anticipation of Lab-wide AI/ML workshops later in the year.

Scope:

• Current Challenges Assessment: Engage participants in discussions about ongoing scientific inquiries and operational challenges within chemical and materials sciences that could be addressed with AI/ML technologies.

• AI/ML Applications Exploration: Review and analyze how AI/ML is currently being utilized in these fields and pinpoint new tools and techniques that could revolutionize research practices.

• Gaps Identification: Pinpoint deficiencies in data availability, knowledge, technological tools, and training that hinder the full utilization of AI/ML in chemical and materials sciences.

• Emerging Technologies Focus: This focus is on emergent AI/ML technologies that hold potential for substantial impacts in chemical and materials research.