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Campbell, Stuart

Publications and source records attributed to Campbell, Stuart.

Delivering real-time multi-modal materials analysis with enterprise beamlines

Contemporary advancements in low-cost automation and computation, reduced barrier to entry in developing artificial intelligence/machine learning (AI/ML), and increased ability to represent complex materials in digital form have led to a number of accelerated materials discovery platforms. However, many of these approaches operate with completely rigid vertical integration in an isolated feedback loop using limited modalities. In order to make a substantial impact on discovering new energy materials, AI-driven experiments must operate collaboratively with each other and researchers and over multiple measurement modalities. Herein, we describe the potential for an “internet of things” approach to self-driving enterprise beamlines that merges core information technologies, robotics, and multi-modal AI. The approach will enable full utility of light sources, collaborate effectively with other remote materials acceleration platforms, and help stride toward the world’s energy future.

36 MATERIALS SCIENCE↗

Second Target Station Computer Science and Math Workshop Report

Discovery science drives innovation and underpins the technological advances that will solve some of society’s most challenging issues, including clean energy technologies, better medicines, safe potable water, and addressing aging infrastructures, including transportation. Many of these advances will result from basic research into new materials and new ways to optimize our use of existing materials. Oak Ridge National Laboratory’s neutron sources provide cutting-edge scientific tools to probe the structure and dynamics of matter in unique ways. This insight is fundamental to advancing our ability to discover, design, control, and use new materials to address society’s most pressing needs.

97 MATHEMATICS AND COMPUTING↗

Next generation experimental data access at NSLS-II

The NSLS-II network and computing infrastructure has been significantly updated recently. The re-IP process in 2020-2021 enabled the NSLS-II network to be routable to the rest of the BNL campus. Then, standardization of the operating systems and deployment procedures helped to deliver a consistent environment to workstations and servers used by all NSLS-II beamlines. In particular, the RedHat Enterprise Linux 8 was deployed to 700+ machines using the RedHat Satellite infrastructure management product, and all critical services (IOCs, databases, etc.) were migrated to the new OS. NFS users’ home directories are consistent across all of the machines, which eliminates the need for the individual configuration of the user environment on each host. The standard suite of software packages is available to the beamline staff and users, which includes the system packages (deployed via RPM) as well as the conda environments for data acquisition and analysis. Security measures were implemented to comply with the industry standards, which include multi-factor authentication (using Duo), secure screen lock for the beamline machines, and advanced access control to the experimental data that is stored in shared central storage available on all hosts. These major enhancements facilitated sharing the experimental data (currently for a number of selected beamlines, with a plan to extend it to the whole facility in the nearest future) with the users via an externally facing JupyterHub instance. The beamlines keep using the Bluesky data acquisition framework to orchestrate their experiments, and the new infrastructure enabled them to use a next-generation data access library called tiled.

36 MATERIALS SCIENCE↗