Computational Sciences from Africa and the African Diaspora

C omputational materials science and molecular modeling are rapidly reshaping Africa's scientific landscape.From clean energy to healthcare, machine learning to spectroscopy, African researchers are leveraging computation to address challenges that would otherwise require expensive experimental infrastructures.For this Special Issue, we invited articles from a number of prominent computational scientists who started their education in Africa and have now either established careers there or moved abroad.This diverse community of scientists' work showcases the power of computation as a cost-effective and transformative scientific tool.What makes this collection particularly notable is its geographic diversity.The contributing authors who are conducting research within Africa are building capacity at universities in Cameroon, Kenya, Ethiopia, Nigeria, Egypt, South Africa, and Mauritius.The others, based in Europe and the United States, remain deeply engaged in strengthening computational science on the African continent.Together, they represent a growing ecosystem of theory, simulations, and international collaboration, united by a shared commitment to scientific growth and equitable knowledge development.Below, we highlight the profiles of the invited authors.These individuals reflect not only scientific excellence but also leadership in training, infrastructure advocacy, and community building.They demonstrate how Africa is developing worldclass expertise in computational science, and how emerging networks are preparing the next generation of theorists and innovators capable of driving technological advancement across the continent.