9/9/2024 Jackson Brunner
Written by Jackson Brunner
Materials scientists use computational methods for conducting their research. Simulations can help to develop an understanding of the properties of existing materials and develop new materials. Since computational tools are so beneficial, cutting-edge training in developing and using such techniques is critical.
In support of this goal and to develop close ties between the United States and Africa, the African School on Electronic Structure Methods and Applications was created in 2008. It regularly helps teach students from across Africa how they can leverage the power of simulations and access modern supercomputing facilities, including those in Africa.
ASESMA normally holds a program every other year in different African countries, and it’s something Associate Professor André Schleife of The Grainger College of Engineering's Department of Materials Science and Engineering has been proud to be part of. He participated in a 2023 version of the event, which took place in Kigali, Rwanda. After this experience proved a success, he wanted to continue involvement and returned in 2024 for a smaller version of the event, which organizers called a Mini-ASESMA.
Alex Urban, an assistant professor of chemical engineering from Columbia University, organized the Mini-ASESMA with Schleife. Urban’s research builds computational methods for materials and process engineering, with a focus on clean-energy applications. He participated in the 2023 Rwanda program and found inspiration for the new expansion.
“The ASESMA in Kigali showed me the strong demand for education at the intersection of IT and materials engineering in Africa,” Urban said. “The students were highly engaged, and our discussions have continued on WhatsApp and Slack ever since. When I learned we had funds to support an event this year, I knew we should use them to organize a smaller ‘Mini-ASESMA.’”
The 2024 version, held Aug. 5-9, took place at the University of Ibadan, about two hours north of Lagos, Nigeria. A diverse audience of about 50 students, from undergraduates to postdoctoral researchers, had the opportunity to learn from Schleife and Urban, as well as Omamuyovwi Rita Jolayemi, a lecturer from Covenant University in Nigeria, and Omololu Akin-Ojo, a senior lecturer of condensed matter physics at Ibadan.
The course format included lecture periods of 60-80 minutes teaching students about electronic quantum mechanical states, including everything from the underlying theory behind the concept to effectively running simulations. When classroom sessions were finished, students had a hands-on opportunity to apply what they learned via supercomputer technology; access was organized through a connection with the Advanced Computing Center in Texas. Houlong Zhuang, an associate professor from Arizona State University, led coordination. Students were able to log in, run simulation tutorials and analyze their output as their professors milled around to help them with any issues that might surface.
Schleife’s experience teaching concepts at the Mini-ASESMA agreed with Urban’s takeaway from the Rwanda program.
“These students were amazing,” Schleife recalled about his latest experience. “I mean, they really were interested, they participated in the lectures and discussions. I think seeing that was very rewarding – how curious, interested and excited they were.”
He said the course is meant to be a kickstarter for students to apply to their own research. They could walk away feeling comfortable running simulations and applying them to the materials they were examining on their own time. The course also offered opportunities for student researchers to build their network beyond the already excellent faculty they collaborate with at Ibadan.
“I think what they really benefit from is this international exchange and being exposed to international ongoing research and seeing what’s happening (in materials science),” Schleife added.
In the long run, Schleife hopes to organize permanent supercomputer software access for African students. He and Urban plan to ask the National Science Foundation for an ACCESS grant – a program offering advanced U.S. computing resources free of charge for researchers and educators.
“Urban and I would mentor former participants of the school on continued computational projects,” Schleife said.
At the same time, Schleife and other organizers are applying for NSF funding to back the 2025 version of the ASESMA summer program. The money would support the educators who would travel and teach in coordination with faculty at African universities. They plan to host this next event in Ghana.