Argonne Lab Recognizes Six Early-Career Scientists in 2025 Awards

Each year, the Physical Sciences and Engineering (PSE) directorate at the U.S. Department of Energy’s (DOE) Argonne National Laboratory honors outstanding early-career researchers through the PSE Early Investigator Named Awards. In 2025, the laboratory announced that six researchers would receive funding and mentorship aimed at advancing their innovative projects. Among the awarded cohort is Sarah Elliott, an assistant scientist in the Chemical Sciences and Engineering (CSE) division.

Elliott focuses on reaction kinetics, particularly within gas-phase chemistry. She will be working closely with Ahren Jasper, a senior theoretical chemist at Argonne, on a project titled “Automated Reaction Network Mapping for Chemical Kinetic Mechanisms.” This initiative aims to develop software capable of constructing intricate reaction networks specifically for gas-phase processes.

Advancing Understanding of Chemical Processes

In her role at Argonne, Elliott strives to develop a mechanistic understanding of gas-phase chemical processes relevant to atmospheric chemistry and combustion. Utilizing high-level theoretical kinetics and thermochemistry, she collaborates with both experimentalists and modelers within the gas-phase chemical dynamics (GPCD) group. Their collective efforts enhance the interpretation of experimental results and improve the accuracy of predictive models.

Elliott remarks on her work: “We can use these mechanisms to interpret experimental observations, test sensitivities to our theoretical methods, and improve the predictiveness of our models.” She emphasizes the importance of developing methods that allow for reliable kinetic computations at a larger scale, which has facilitated numerous collaborations within Argonne.

Innovative Projects and Future Goals

As the lead developer of the open-source AutoMech software, Elliott expresses excitement about expanding its capabilities. Originating from the Exascale Computing Project at Argonne, AutoMech automates the process of generating high-fidelity chemical kinetics. This automation enables the study of fundamental chemical interactions on a larger scale, allowing for more accurate modeling of chemical processes.

Elliott’s current research, supported by the 2025 PSE Early Investigator Named Award, focuses on creating a Chemical Organic Reaction Network Calculator and Builder (CORNCoB). This tool aims to enhance the completeness of reaction networks through a graph-based approach. By refining rate constants with AutoMech, CORNCoB will enable the exploration of systems lacking established chemical mechanisms, ultimately broadening the scope of research in less understood chemical pathways.

When asked about her favorite aspects of working at Argonne, Elliott highlights the collaborative environment: “Any time there are discrepancies between our theoretical predictions and experimental results, we have the opportunity to learn.” This dynamic fosters continuous scientific exploration and innovation.

Elliott’s work aligns closely with Argonne’s mission to address key scientific and energy challenges through advanced computation and fundamental science. Understanding the mechanisms behind chemical processes enhances predictive capabilities and efficiency across various applications.

Outside of her professional pursuits, Elliott enjoys card and board games and outdoor activities such as camping, climbing, and skiing. She also appreciates time on the water through kayaking, sailing, and fishing.

Argonne National Laboratory plays a vital role in addressing pressing national problems through cutting-edge research across numerous scientific disciplines. Managed by UChicago Argonne, LLC for the U.S. Department of Energy’s Office of Science, the laboratory is a significant contributor to basic research in the physical sciences, tackling some of the most pressing challenges of our time.

For more information about Argonne National Laboratory and its initiatives, visit the U.S. Department of Energy’s website at https://​ener​gy​.gov/​s​c​ience.