Presentations
2025 | Data-Driven Design of Reactive Technologies: Case Studies In Energy Storage. ACS Spring Meeting (Invited Talk). |
Mechanistic Insights Into Electrolyte Decomposition During Electrochemical Ammonia Synthesis from Machine-Learning Interatomic Potentials. ACS Spring Meeting. | |
Towards Rational Design of Sustainable Technologies with Data-Enabled Reactive Simulations. Symposium on Responsible and Sustainable AI. | |
2024 | Chemical Reaction Network Machine Learning (CRN-ML): A Frontier for Reactivity Studies. AIMED Workshop on Heterogeneous Catalysis (Invited Poster). |
Datasets to Drive Practical Chemical Data Science. Gordon Research Conference in Computational Chemistry. | |
Challenging Molecular Machine Learning with Datasets of Ions and Radicals. Gordon Research Seminar in Computational Chemistry (Invited Talk). | |
Using Networks to Obtain Mechanistic Understanding in Electrochemistry. Materials Science and Engineering Rising Stars Colloquium Series (Invited Talk). | |
2023 | Rational Design of Sustainable Chemical Solutions with Reaction Networks and Data Science. AIChE Annual Meeting. |
Explaining Gas Evolution Mechanisms in Mg-Ion Batteries with Chemical Reaction Networks. AIChE Annual Meeting. | |
MPcules: an open and accessible database of molecular properties in the Materials Project. ACS Fall 2023 Meeting. | |
Revealing the decomposition mechanisms of lithium hexafluorophosphate in battery electrolytes and interphases by first-principles simulations. ACS Spring 2023 Meeting. | |
Explaining Battery Electrolyte Decomposition With Chemical Reaction Networks. Berkeley Energy & Resources Collaborative Energy Summit. | |
2022 | Leveraging quantum chemistry and reaction networks to explore electrochemical cascades. Pitzer Center for Theoretical Chemistry Seminar Series. |
Leveraging big data and chemical reaction networks to explore and explain electrochemistry. ChemE Future Faculty Seminar Series. | |
A General Mechanistic Model of Early Solid-Electrolyte Interphase Formation in Lithium-ion Batteries. Gordon Research Conference in Electrochemistry. | |
Towards a Mechanistic Explanation for Solid Electrolyte Interphase Formation and Evolution in Lithium-Ion Batteries. American Conference on Theoretical Chemistry. | |
Towards a Mechanistic Explanation for Solid Electrolyte Interphase Formation and Evolution in Lithium-Ion Batteries. 21st International Meeting on Lithium Batteries (Invited Poster). | |
Towards a Mechanistic Explanation for Solid Electrolyte Interphase Formation in Lithium-Ion Batteries. 241st Electrochemical Society Meeting. | |
GPS for the SEI: Charting Electrochemical Mechanisms with Reaction Networks. 241st Electrochemical Society Meeting. | |
2020 | Automatic Generation of Computational Reaction Networks for Unbiased Exploration of Chemical Pathways. MRS Spring/Fall Meeting & Exhibit. |
A Robust Computational Framework for High-Throughput Density Functional Theory Calculations for Electrochemical Application. PRiME (ECS, ECSJ, & KECS Joint Meeting). | |
2019 | Identifying Diels-Alder Reactions for Aqueous Thermal Storage Using Density Functional Theory. MRS Spring Meeting and Exhibit. |