University of California Research Initiatives

A non-equilibrium electronic state will, in general, thermalize toward an equilibrium state due to electron-electron interactions as well as interactions with ions. The description of such processes has remained unclear and controversial in time-dependent density functional theory (TDDFT), given that the occupation numbers remain fixed over time and that adiabatic functionals do not include explicit dissipation. Here, we study the explicit time propagation of graphene after ultrafast laser pulses, using the Octopus real-space code, with and without ionic motion in Ehrenfest molecular dynamics. This work has implications for the treatment of statistical mechanics in a TDDFT framework.

Pyridines and nitrogen containing heterocycles comprise a large portion of pharmaceutical compounds and have many practical applications. Herein, we describe a straightforward, enantioselective method for direct alkylation of fused bicyclic pyridines, using chiral lithium amides as traceless auxiliaries. This method is tolerant of a variety of activated electrophiles which can allow for further functionalization.

The United States agriculture sector needs to adapt to and mitigate its contributions to climate change, especially with adverse impacts such as intense and frequent drought, flooding, wildfire, and extreme heat that affect crop yields, livestock health, farm infrastructure, and farmer incomes. Recently, federal and state governments have introduced new ‘climate-smart agriculture’ (CSA) policies and programs to help farmers mitigate greenhouse gas (GHG) emissions from farming operations. However, farmers face persistent barriers to accessing government resources, which necessitates an understanding of power dynamics among CSA program actors and existing institutions and structures in the agricultural sector. I used the California Department of Food and Agriculture (CDFA) CSA incentive programs to investigate these dynamics. I examined how farmer access to CSA programs and the broader program goal of GHG mitigation are enabled or constrained by program actors involved in program implementation and decision-making, and external institutional and structural ‘conditions.’ I explored if and what foci should be incorporated into the California CSA approach to further achieve GHG mitigation and broader climate change adaptation. To assess these objectives in the context of the CSA programs’ implementation and agenda-setting policy process stages, I employed qualitative methods. Drawing from conservation social sciences, political sciences, and human geography, I used a research approach based in concepts of power – the mechanisms of power and the enabling and constraining outcomes – and theories of institutions and structures. The findings demonstrate persisting challenges within the implementation process that ultimately constrain farmers’ access to the CSA programs. External policies, market dynamics, farmland and labor access, structural discrimination, and asymmetrical power dynamics in program agenda-setting further constrain farmer access to programs and the programs’ ability to mitigate GHG emissions. My findings highlight potential foci to address structural constraints for GHG mitigation and adaptation at the farm level for the CSA approach utilized in California. I recommend considering a more holistic, multi-policy approach to address climate change mitigation and adaptation in agriculture and I argue for future participatory action research with farmers, farm workers, and rural communities to determine mitigation and adaptation needs.

The following report chronicles the professional project completed in partial fulfillment for the degree of Master of Science in Environmental Sciences and Management at California Polytechnic State University, San Luis Obispo. This professional project spanned fifteen months and was conducted with the support of the Sustainable Land Initiative under the supervision of Professor Nicholas Babin. Two educational workshops resulted from the endeavor, thus contributing to the Central Coast’s agriculture community through increased knowledge access and professional networks. Additionally, a two-year road map was developed for future Sustainable Land Initiative events. This plan was intended to be used as a reference point as the organization continues to develop and uplift regenerative farming practices within the region. This report provides the context of the development of the workshops through a literature review, whereas the future outreach plan was informed by survey results from the organized workshops.

This is a case study of City Farm SLO.

This paper investigates the persistence of agricultural practices funded by the California Department of Food and Agriculture's Office of Environmental Farming and Innovation (CDFA OEFI). The central inquiry revolves around determining the most effective behavior model for analyzing persistence, comparing the Reasoned Action Approach (RAA), Comprehensive Action Determination Model (CADM), and CADM augmented with structural variables. The study's methodology integrates literature review, analysis of OEFI-funded practices, and statistical modeling to assess persistence levels. Contrary to existing literature, our findings reveal significantly higher levels of persistence than anticipated. Moreover, through model comparison, CADM augmented with political economic variables emerges as the superior model for analyzing and predicting persistence in agricultural practices funded by CDFA OEFI. These results contribute to a deeper understanding of behavioral determinants in sustainable agricultural practices and offer insights into optimizing policy interventions for long-term practice adoption and environmental impact.

Between 1995 and 2014, California wine production increased by 79%. While the industry has made significant efforts to improve environmental performance, existing data on water consumption and $CO_2$ emissions often rely on studies from foreign regions, which may not accurately reflect California's specific production schemes. Because environmental profiles vary widely based on life-cycle factors, this study utilizes Life Cycle Analysis (LCA) to assess the impact of red wine produced on the Central Coast of California under various production scenarios.The cradle-to-gate analysis examined variables including bottle weight reduction, transportation distances, and varying ratios of machine versus hand-harvesting. Results revealed that the bottling process contributes the most significant environmental impacts, accounting for 82.6% of total global warming potential (GWP) and 65.4% of eutrophication potential. Furthermore, transportation and bottle weight are critical factors, contributing 10.6% of ecotoxicity potential, 11.6% of GWP, and 7.84% of eutrophication potential. Notably, reducing bottle weight by 26.1% resulted in a 20.0% reduction in GWP and a 13.2% reduction in eutrophication potential.These findings provide a scientific basis for producers to adopt best practices for environmentally conscious wine production and inform consumer decision-making. Additionally, these results facilitate the assessment of produce against established sustainability standards. Given the regional variability of certification programs across California and the United States, this data offers a quantitative basis for streamlining audit procedures and supporting the overall certification process.

The hop industry is culturally and economically significant in the United States due to its central role in beer production, yet its environmental impacts remain understudied. To address this gap, this study conducts a cradle-to-gate life cycle assessment (LCA) of aroma hop production, beginning with seedling propagation via tissue culture and ending with packaged hop pellets ready for shipment. Results show that producing 1 kg of aroma hop pellets generates 5.19 kg CO₂-equivalent (kgCO₂e) of potential global warming impact (GWP) and eutrophication (EP) of 15.61 g N-equivalent (gNeq). Farm cultivation represents the largest contributor, accounting for nearly 60% of GWP and over 63% of EP. Scenario analysis indicates that shifting irrigation methods can reduce EP by 17–34% and GWP by 11–20% relative to the baseline. Air drying of hops can further reduce GWP by 24%, while complete reliance on solar energy decreases EP and GWP by 13% and 5%, respectively. The substantial contribution of irrigation is linked to its high energy demand, suggesting that improvements in the energy-water nexus are critical for reducing the environmental footprint of hop production and advancing more sustainable agricultural practices.

The development of automated experimental facilities and the digitization of experimental data have introduced numerous opportunities to radically advance chemical laboratories. As many laboratory tasks involve predicting and understanding previously unknown chemical relationships, machine learning (ML) approaches trained on experimental data can substantially accelerate the conventional design-build-test-learn process. This outlook article aims to help chemists understand and begin to adopt ML predictive models for a variety of laboratory tasks, including experimental design, synthesis optimization, and materials characterization. Furthermore, this article introduces how artificial intelligence (AI) agents based on large language models can help researchers acquire background knowledge in chemical or data science and accelerate various aspects of the discovery process. We present three case studies in distinct areas to illustrate how ML models and AI agents can be leveraged to reduce time-consuming experiments and manual data analysis. Finally, we highlight existing challenges that require continued synergistic effort from both experimental and computational communities to address.

Wildland and wildland-urban interface (W/WUI) fires are increasing in frequency and intensity, increasing concerns about firefighters' exposure to hazardous smoke and the need for respiratory protection. This qualitative study explored the perspectives of California fire service personnel on the use of respiratory protective devices (RPDs), particularly powered air-purifying respirators, and a potential Cal/OSHA regulation mandating their use in W/WUI firefighting. Participants were experienced in W/WUI firefighting and had some role in their fire department related to respiratory protection or other aspect of firefighter safety. While all participants recognized the health risks associated with smoke exposure, including cancer and acute respiratory symptoms, and that RPDs would reduce their exposures, participants had concerns that RPDs would negatively affect fatigue, comfort, communication, mobility, and situational awareness. Some concerns specifically relate to the design of the RPDs. Most participants supported using RPDs in specific scenarios such as mop-up and prescribed burns, but fewer supported RPD use during high-exertion tasks like cutting line. Participants preferred flexibility or guidance rather than prescriptive regulation and advocated for engagement of firefighters in the development of any potential regulation to ensure practicality and feasibility. Some participants acknowledged resistance to change in the industry as a barrier for RPD adoption, but felt that evidence of RPD effectiveness and usability, including opportunities for training with devices and changes to device design, could assist with adoption. A programmatic regulation, coupled with education and engagement, can facilitate the incorporation of RPDs in W/WUI firefighting.