Harnessing quality-throughput trade-off in scoring functions for extreme-scale virtual screening campaigns

Yuedong Zhang, Gianmarco Accordi, Davide Gadioli, Gianluca Palermo
January 2025
Cite DOI URL
Type
Journal article
Publication
FUTURE GENERATION COMPUTER SYSTEMS
Approximate Computing; HPC; Scoring Function; Virtual Screening
Yuedong Zhang
Yuedong Zhang
Ph.D. Student

Zhang Yuedong is currently pursuing his Ph.D. in the Dipartimento di Elettronica, Informazione e Bioingegneria (DEIB). His research interests are focused on High-Performance Computing (HPC) and its applications in the field of Drug Discovery.

Gianmarco Accordi
Gianmarco Accordi
Ph.D. Student

Gianmarco Accordi is a PhD student at Politecnico di Milano specializing in performance portability for high-performance computing and drug discovery simulations.

Davide Gadioli
Davide Gadioli
Assistant Professor

He earned his M.S. in Information Technology (2013) and Ph.D. cum laude in 2019 from Politecnico di Milano. A former Visiting Student at IBM Research (2015), he is now a postdoctoral researcher at DEIB, focusing on application autotuning, approximate computing, molecular docking, and drug discovery. He contributes to EXSCALATE software development.

Gianluca Palermo
Gianluca Palermo
Full Professor

Gianluca Palermo received the M.Sc. degree in Electronic Engineering in 2002, and the Ph.D degree in Computer Engineering in 2006 from Politecnico di Milano. He is currently an associate professor at Department of Electronics and Information Technology in the same University. Previously he was also consultant engineer in the Low Power Design Group of AST – STMicroelectronics working on network on-chip and research assistant at the Advanced Learning and Research Institute (ALaRI) of the Università della Svizzera italiana (Switzerland). His research interests include design methodologies and architectures for embedded and HPC systems, focusing on AutoTuning aspects.