2026 Community Science Campaign Meetings: Computing, Analytics, and Modeling Science Area
July 17, 2026
Overview
EMSL's Community Science Campaigns leverage the collective power of researchers worldwide to tackle significant biological, environmental, and computational challenges faced in creating an energy-secure future.
On Friday, July 17, EMSL will hold three Community Science Campaign Meetings to discuss the work being pursued within our user facility's Computing, Analytics, and Modeling Science Area.
Researchers whose work aligns with the meeting topics are encouraged to attend and learn about the motivations for each campaign, how the campaigns move science forward, what's been done to date, and next steps.
The meetings are virtual and free to attend.
Attendees must register for each meeting individually.
2026 Community Science Campaign Meetings
Bridging Soil Scales
9–10 a.m. PDT
Presenter
Satish Karra, Computational Scientist
The Bridging Soils campaign focuses on developing AI-enabled and agentic workflows that connect pore structural and molecular chemical data with predictive flow and reactive transport modeling for critical mineral and metal (CMM) applications. It integrates EMSL capabilities such as PFLOTRAN, multimodal data fusion, Pore2Chip, and Chip2Flow to streamline model setup, improve reproducibility, and bridge molecular-scale reactivity with pore-scale mineral dissolution, precipitation, and transport processes.
In this meeting, we will provide updates on progress toward building data-to-model workflows that transform multimodal soil and porous-media datasets into model-ready representations for PFLOTRAN-based simulations. We will share early workflow results, discuss priority CMM-relevant use cases and benchmark datasets, and seek community feedback on validation needs, data integration challenges, and the most important modeling questions where EMSL's AI, imaging, and pore-scale simulation capabilities can make the greatest impact.
Register for the Bridging Soil Scales Community Science Campaign Meeting via Zoom.
Mass Spec Molecular Annotation and Simulation
10–11 a.m. PDT
Presenters
Yuri Corilo, Computational Scientist
Mark Maupin, Data Scientist
The Mass Spec Molecular Annotation and Simulation campaigns are complementary and focused on advancing predictive understanding and data-driven discovery of metal-binding processes, integrating high-resolution mass spectrometry with state-of-the-art computational modeling to accelerate progress in critical minerals, materials, and bio-design applications.
We will discuss ongoing progress in both campaigns, including major advances in automated code development that now enable rapid construction and simulation of metallophores, proteins, and deep eutectic systems. We will also present how these simulation workflows are being integrated with high-level ab initio calculations to provide deeper mechanistic insight. In parallel, we will highlight recent developments in the CoreMS Orchestrator for LC MS data processing, autonomous molecular networking, and emerging AI-driven agent capabilities that support metallophore discovery.
Finally, we will invite community feedback as we demonstrate how these tools connect high-resolution mass spectrometry, fragmentation-based similarity analysis, and AI-assisted reasoning into more scalable workflows designed to accelerate chemical discovery.
Pathway Discovery and Metabolic Modeling
12–1 p.m. PDT
Presenters
Angela Cintolesi, Computational Scientist
Niaz Chowdhury, Data Scientist
The Pathway Discovery and Metabolic Modeling campaigns are complementary and focused on accelerating the understanding and engineering of microbial metabolism for biotechnology and CMM applications. EMSL and invited community members work together to automate multiomics data processing, pathway visualization, predictive modeling, and AI-driven analysis, to close key gaps in gene and pathway knowledge in both model and non-model microorganisms.
This meeting will provide updates on the resulting workflows, tools, and models being utilized in these campaigns and contextualize them within the scientific community, as well as EMSL's upcoming automated Anaerobic Microbial Phenotyping Platform (AMP2).
Questions?
Email Rick Washburn, EMSL User Program Services Project Manager.
Download a higher-resolution version of the digital info card.