Conveners
Parallel Session D: AI-Guided Biointerfaces, Microstructure Prediction, and Functional Materials Design
- Etienne Gnimpieba (University of South Dakota)
The Haber–Bosch (HB) process is the foundation of industrial ammonia (NH₃) production, essential for manufacturing nitrate-based fertilizers and offering potential as a hydrogen carrier. However, the HB process consumes over 2% of global energy annually to produce more than 160 million tons of NH₃, primarily due to the high temperatures and pressures required by iron-based catalysts. In this...
Harnessing microbial systems for methane bioconversion necessitates a detailed understanding of enzyme architecture and microbial-surface interactions. Integrating microbial biotechnology, materials engineering, and artificial intelligence (AI) offers a transformative strategy for advancing sustainable methane bioconversion. In this study, we computationally remodeled the particulate methane...
Sulfate-reducing bacteria (SRB) thrive in many natural environments, deep environments, and processing facilities in industrial settings and form biofilms. SRB biofilms alter the physiochemical properties of metals, inducing fouling and later biocorrosion, which cost USD 1.1Trillion to global GDP every year. To combat biocorrosion, it is essential to understand the interaction at the bacteria...
Accurately predicting the electronic properties of materials under realistic conditions remains a central challenge in materials science, particularly for systems that deviate from ideal crystalline order, such as those with disorder, defects, or thermal fluctuations. Many-body methods based on the GW approximation provide the accuracy needed to capture these effects, but their high...
