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DOE OSTI · 2565600

Computing with a Chemical Reservoir

Johnson, Connah G. [BATTELLE (PACIFIC NW LAB)]·Bohm Agostini, Nicolas [BATTELLE (PACIFIC NW LAB)]·Cannon, William R. [BATTELLE (PACIFIC NW LAB)] (ORCID:0000000337897889)·Tumeo, Antonino [BATTELLE (PACIFIC NW LAB)]
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Abstract

Contemporary computation is expensive, with large language models and artificial intelligence becoming more common in daily life. However, high-performance computing is reaching the limits in speed and energy expenditure, and domain science requires ever-increasing computational capacity, with simulations and data analysis pipelines ever-growing in complexity. As we progress towards post-exascale computation, with the associated high energy costs, new methods of energy-conscious computation are required. Novel analog and hybrid digital-analog systems can overcome these challenges, and chemical reactions offer a promising avenue. Computers based on chemistry can provide compact desktop devices with immense computational power. These devices are readily scalable by considering greater reaction systems or vessels, meeting the high-performance requirements for scientific workflows. In this article, we present ChemComp, a compilation pipeline for the conversion of ordinary differential equations into implementable chemical reactions. We then demonstrate the solving capabilities of ChemComp by emulating a potential chemical reservoir device. We leverage the multi-layer intermediate representation (MLIR) compiler framework to implement an expressive chemical reaction abstraction and propose a path for chemical reaction networks (CRNs) to represent mathematical problems effectively. Combined, we demonstrate a potential workflow that can harness chemistry’s computing power to create energy-efficient, high-performance computation systems for contemporary computing needs.

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Johnson, Connah G. [BATTELLE (PACIFIC NW LAB)], Bohm Agostini, Nicolas [BATTELLE (PACIFIC NW LAB)], Cannon, William R. [BATTELLE (PACIFIC NW LAB)] (ORCID:0000000337897889), Tumeo, Antonino [BATTELLE (PACIFIC NW LAB)]. 2024-12-31. Computing with a Chemical Reservoir. https://doi.org/10.1109/icrc64395.2024.10937022

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