Autonomous decision support for nanosafety

Robert Rallo


The emergence of generative artificial intelligence (genAI) provides new opportunities to accelerate nanoEHS research. In particular, autonomous experimentation offers new possibilities to accelerate the discovery of linkages between the structure, properties and bioactivity of chemicals and nanomaterials.

In this talk we will provide an overview of the challenges and opportunities of the application of modern AI techniques in nanosafety. The talk will cover aspects related to data, latent space representation, physics-embedding, as well as the mapping of AI models to specific hardware accelerators for the autonomous operation of characterization and synthesis instruments.

About Robert Rallo

Dr. Robert Rallo is the Director of the Advanced Computing, Mathematics, and Data Division (ACMDD) in the Physical and Computational Sciences Directorate at Pacific Northwest National Laboratory, and Affiliate Professor in the Chemical Engineering Department at University of Washington. From 2017 until 2019, he led the Data Sciences Group in the Advanced Computing, Mathematics, and Data Division at Pacific Northwest National Laboratory. Prior to joining PNNL, he held multiple full-time tenured faculty positions (1990-2016) in Computer Science and Artificial Intelligence and served as Director of the Advanced Technology Innovation Center (2012-2016) at the Universitat Rovira i Virgili, in Catalonia.

His research interests are on the applications of artificial intelligence at the intersection of chemistry, materials science, biology, and computer science. He has been active in the broader scientific community by serving as chair of the Modeling WG for the European Commission Nanosafety Cluster (2012-2016), EU co-chair for the Community of Research of Predictive Modeling for Human Health in the context of the US-EU Dialogue on nanoEHS (2013-2015), and Faculty member of the NSF/EPA Center for Environmental Implications of Nanotechnology (UC CEIN) at the University of California Los Angeles. Dr. Rallo serves regularly as reviewer for several national and international research organizations including the US Department of Energy (DOE), the National Science Foundation (NSF), and the European Research Council (ERC).

At the conference

Predicting effects of advanced materials by computational modeling

Date & time
10 November 2023, 9:35

Robert Rallo

Advanced Computing, Mathematics, and Data; Pacific Northwest National Laboratory, Richland, WA (USA)

Back to top