Contributor

My research focuses on the performance portability of extreme-scale high-performance computing applications. A key use case of my research has been the development of a portable drug discovery platform for urgent computing scenarios. I am part of the team working on LiGen, which powered the largest virtual screening campaign conducted on a modern supercomputing center. Within the project, I primarily benchmark and optimize the application's core kernels across different architectures using multiple parallel computing frameworks. My work contributes to developing a heterogeneous computing platform capable of harnessing the computational power of diverse supercomputing centers for large-scale drug discovery campaigns.