Abstract
The development of innovative and cost-effective materials is crucial for the success of energy technologies ranging from electrochemical energy conversion to efficient power storage solutions. However, the discovery of such materials is hindered by the competing demands of different material properties and the challenges of optimizing multidimensional design spaces.
Artificial intelligence, particularly machine learning (ML) introduces a novel approach to this process by rapidly analysing extensive chemical datasets and recognizing complex patterns that guide material selection. Among the emerging materials, “MXenes”, a family of two-dimensional transition metal carbides and nitrides have gained significant attention for energy applications.
In this talk, I will discuss how ML extracts valuable information from a vast collection of MXenes using hidden data relationships and complex correlations. I will highlight strategies for optimizing catalytic performance and their implications for sustainable energy solutions. The importance of SMART (specific, measurable, attainable, relevant, and timely) targets will be addressed, demonstrating their strategic impact on the selection of data. I will outline our recent work that employs supervised ML algorithms in a multistage process to establish predictive models for hydrogen evolution reaction and CO2 activation across MXene configurations.
This presentation also introduces an efficient catalyst discovery framework that combines computational analysis with experimental validation to enhance performance and stability in energy applications.
Bio
Bokinala Moses Abraham, Ph.D.
Fulbright-Kalam Climate Fellow
Drexel University
Dr. Bokinala Moses Abraham is an emerging researcher in machine learning-driven materials discovery for sustainable energy and is a Fulbright-Kalam Climate Fellow at the A.J. Drexel Nanomaterials Institute, Department of Materials Science and Engineering, Drexel University. Moses develops predictive models that characterize the structural, electronic and catalytic properties of materials to optimize their selection for energy and environmental applications.
Moses received his Ph.D. in Physics from the University of Hyderabad. He has gained research experience as a Postdoctoral Fellow at the University of Barcelona and the Indian Institute of Technology Kanpur, where Moses developed theoretical frameworks for accelerating the discovery of next-generation materials for clean energy technologies.
Moses has authored nearly 80 peer-reviewed journal articles. He has been recognized with several distinguished research grants and awards, including the Fulbright-Kalam Climate Fellowship by the U.S. Department of State, the Juan de la Cierva-Formación Fellowship from the Spanish Ministry, the HPC-Europa3 grant under the European Commission’s Horizon 2020 program and the National Postdoctoral Fellowship from the Indian government.
In addition to his research, Moses serves as a Climate Crisis Commission member at the International Union for Conservation of Nature (IUCN).