Flexible, interdisciplinary computing/chemistry for understanding the atmosphere/biosphere

The FICUS* Lab, led by Prof. Kavassalis, investigates the fundamental chemistry that shapes air quality and climate, with a focus on connecting high-resolution measurements to advanced computational modelling. Our research addresses an overarching question: How can molecular-level chemical understanding and innovative computational approaches improve predictions of Earth’s rapidly evolving climate system?

Humans directly emit vast quantities of chemicals into the atmosphere every year, perturbing air quality, global nutrient cycling, and the Earth's climate. Within and above plant canopies, a complex interplay occurs between biogenic emissions (the chemical compounds emitted directly from plants and soil communities) and human-created pollutants, profoundly influencing air quality, ecosystem health, and our climate. Significant attempts have been made to understand this exchange between the biosphere and the atmosphere. Yet, challenges remain, as each ecosystem is distinctly different. Different plant species emit and remove different chemical compounds that take part in distinct chemical reactions, and these processes change under times of stress. Potentially, 10,000s of chemical reactions occur in our atmosphere, leading to either the production or removal of harmful pollutants like ozone and aerosols while simultaneously regulating the lifetime of greenhouse gases. The picture is further complicated due to the distinct and complex way that air moves and mixes through vegetation, changing how fast chemistry can occur. 

Our primary research program centres on local ecosystem-atmosphere interactions at the Bernard Field Station, a remnant patch of Southern California coastal sage scrub. Here, we have established a long-term flux site measuring greenhouse gases, energy, and meteorological parameters at sub-second resolution. This initiative enables us to observe, in real-time, how plant communities and their emissions respond to environmental stressors such as intensifying wildfire seasons, urban land-use changes, and evolving atmospheric pollutants. The dataset will provide a rare, mechanistic record of carbon cycling, enabling direct validation of satellite and model-based predictions for our region.

Our group approaches research questions with a toolkit that blends precise field experimentation, computational chemistry, and data science. Students develop expertise in state-of-the-art instrumentation (e.g., infrared spectroscopy and off-line GC-MS), address questions of chemical kinetics and atmospheric modelling, and engage with modern approaches to data analysis and machine learning. By assimilating our observations into computational models, ranging from mechanistic, coupled differential equation solvers to machine learning frameworks, we are improving our understanding of pollutant formation and greenhouse gas fluxes, and how they intersect with public policy and climate change.

Current projects in the FICUS Lab include:

• Eddy covariance measurements of CO₂, water vapour, and energy fluxes at the Bernard Field Station.
• Studying the emissions of irregular terpenes from the California coastal sage scrub and simulating their atmospheric oxidation mechanisms
• Developing and validating computational models that explicitly link plant physiology and atmospheric reactivity.
• Assessing the potential and limitations of data-driven (ML) models in atmospheric chemistry, particularly in the context of non-linear dynamics and sparse observational records.

The FICUS Lab recognizes that our research is conducted on the traditional and unceded lands of the Tongva (Kizh). Indigenous communities face significant and negative impacts from climate and land-use change as a consequence of colonization, including loss of access to land and worsening air quality. Our group is committed to fostering a research environment rooted in justice, equity, and respect for all forms of expertise. Participation in this lab requires consideration of the broader social and environmental contexts within which our work is situated. 

*Flexible, Interdisciplinary Computing(Chemistry) for Understanding the atmoSphere(bioSphere)

This Spring, we are offering an introductory semester in research in this space. See details here for the big picture questions we are working on right now: https://www.ficus.space/research

New students (frosh and sophomore applicants) will need to have 1.5 credits of research space available in the Spring. Your credit hours will go to reading assigned papers, attending a weekly group meeting (to discuss said papers and ongoing research projects), and trying out some actual hands on research. This can be related to our group's field work efforts, lab-based measurements, atmospheric modelling, computational chemistry, or machine learning projects (we'll individually discuss which of those make sense for you).

If you are a junior (thinking ahead to thesis and not already in our lab), send me an email outside of the URO site so we can talk about options.

Application: Write a few sentences about…

• Are you a (potential) X-climate major? A potential chem-X major? Something else?
• What interests you in this kind of work?
• What skills or past experiences do you have that might support you working in this space?
• What new skills or knowledge do you hope to gain in the group?