The School of Mechanical and Materials Engineering Seminar Series, “Data-driven discovery of materials for sustainable energy generation” Presented by Dr. Bokinala Moses Abraham
About the event
Data-driven discovery of materials for sustainable energy generation
Presented by Dr. Bokinala Moses Abraham, Fulbright Kalam Climate Fellow, A.J. Drexel Nanomaterials Institute, Department of Materials Science and Engineering, Drexel University, Philadelphia.
Abstract:
To address the global sustainability challenges and ensure a better quality of life, it is essential to develop cutting-edge energy generation solutions such as water-splitting devices, fuel cells and rechargeable batteries. The success of these technologies is highly dependent upon materials that are both environmentally friendly and economically viable, but finding them is limited by the property trade-offs and multidimensional complexities. Particularly, the field of catalysis experiences hurdles from the random nature of screening numerous materials under operating conditions. Artificial intelligence, employing data mining and machine learning (ML) tools revolutionizes material discovery by accelerating the screening process through efficient exploration of vast chemical space. MXenes, a class of two-dimensional (2D) materials derived from the selective etching of specific element from layered transition metal carbides and nitrides, have emerged as promising candidates for development of innovative energy materials. This presentation highlights the pivotal role of ML in extracting knowledge from MXenes by using implicit data patterns and complex correlations, providing intelligent guidance for the development of innovative energy materials. I will talk about the methods to enhance catalyst performance and explore their impact on the future of sustainable energy technologies. Following this, I will present our recent research on a multistep procedure using supervised ML algorithms to build data-driven models that predict HER and CO2 activation across thousands of MXene configurations. I will also discuss how computational and experimental integration can accelerate the discovery of efficient catalysts.
Biography:
Bokinala Moses Abraham is a Fulbright-Kalam Climate Fellow at the A.J. Drexel Nanomaterials Institute, Department of Materials Science and Engineering, Drexel University. Moses received his Ph.D. in 2020 from University of Hyderabad, India. Before joining Drexel University, Moses was a Postdoctoral Fellow at University of Barcelona and Indian Institute of Technology Kanpur. He has published nearly 80 peer-reviewed journal articles. Moses received several prestigious grants and awards, including the Fulbright-Kalam Climate award from the U.S. Department of State, the HPC-Europa3 award from European Commission’s Horizon 2020, Juan de la Cierva-Formación award from the Ministry of Spain and the National Postdoctoral Fellowship from the Government of India. He serves as a Climate Crisis Commission member at International Union for Conservation of Nature (IUCN). Moses research expertise is centered on employing advanced computational techniques and data-driven approaches to conduct high throughput screening of materials for sustainable energy generation.