Giuseppe Barca

Giuseppe Barca is a Lecturer of High-Performance Computing (HPC) in the School of Computing at the Australian National University (ANU), part of the ANU College of Systems & Society. He holds leadership roles in multi-institutional collaborations, including PaCER projects and the GAMESS Exascale Computing Project. His research focuses on integrating HPC, AI, and quantum chemistry to revolutionize computational science, enabling transformative digital technologies in materials science, drug discovery, and sustainable manufacturing. Barca’s work has led to world records in computational-driven chemical modeling and the 2024 ACM Gordon Bell Prize for the EXESS software.

His research interests span high-performance algorithms, machine learning for digital chemistry, and autonomous discovery protocols. He leads a group advancing quantum chemistry software like EXESS, optimized for exascale supercomputers. The group’s digital workflows automate and accelerate chemical R&D by combining quantum mechanics with AI-driven predictions. Barca’s contributions bridge computational efficiency and scientific impact, addressing challenges in scalable HPC algorithms and AI integration.

• Awards: 2024 ACM Gordon Bell Prize, World Record in Material Structure Modelling (2020–2021)
• Leadership Roles: Pawsey Centre for Extreme-scale Computing (PaCER), GAMESS Exascale Project
• Software: EXESS (winner of Gordon Bell Prize), AliSim-HPC, CONQUEST

Barca’s team offers competitive graduate and postdoctoral openings in HPC, AI, and digital chemistry, emphasizing programming skills in C/C++, GPU architectures, and version control systems. Research themes include algorithmic innovation for quantum chemistry, generative AI for material discovery, and autonomous digital workflows for drug design.