Integrating high-performance computing, machine learning, data management workflows, and infrastructures for multiscale simulations and nanomaterials technologies

Scholarly Works

• Mim, J. J.; Rakib, S.; Akter, S.; Nisha, J. R.; Khan, S.; Rahman, S. M. M.; Manik, M. H.; Hossain, N. The emerging role of machine learning in nanomaterials research: applications, challenges, and future directions. Journal of Nanoparticle Research 2025, 27. doi:10.1007/s11051-025-06472-2
• Sarajlić, A.; Banjanović-Mehmedović, L.; Mercuri, F. Vision-Guided Robotic Automation for Materials Informatics: Enabling Autonomous Additive Manufacturing in Self-Driving Laboratories. In 2025 XXX International Conference on Information, Communication and Automation Technologies (ICAT), IEEE, 2025; pp 1–6. doi:10.1109/icat66432.2025.11189288
• Dang, S.; Son, Y.; Kim, B.; Jeong, K.; Park, J.; Cho, H. Converging High-Performance Computing, Artificial Intelligence, and Intelligent Workflows for Next-Generation Innovation. In 2025 International Conference on Artificial Intelligence, Computer, Data Sciences and Applications (ACDSA), IEEE, 2025; pp 1–6. doi:10.1109/acdsa65407.2025.11166486
• Yu, G.; Wang, Z.; Xu, Y.; Sun, Z. J.; Chen, S. From energy to ecology: decarbonization pathways for sustainable high-performance computing through global carbon-energy nexus analysis. Frontiers in Applied Mathematics and Statistics 2025, 11. doi:10.3389/fams.2025.1595365
• Dang, S.; Son, Y.; Kim, B. Converging High-Performance Computing, Artificial Intelligence, and Intelligent Workflows for Next-Generation Innovation. International Journal of Innovative Science and Research Technology 2025, 3448–3455. doi:10.38124/ijisrt/25apr1850
• Thangamalai, M. S.; Desai, D.; Selvaraj, C. Revolutionizing structural biology: AI-driven protein structure prediction from AlphaFold to next-generation innovations. Advances in protein chemistry and structural biology 2025, 147, 1–19. doi:10.1016/bs.apcsb.2025.04.002
• Almeida, F.; Okon, E. Assessing the impact of high-performance computing on digital transformation: benefits, challenges, and size-dependent differences. The Journal of Supercomputing 2025, 81. doi:10.1007/s11227-025-07281-z
• Sharma, M. The Role of Machine Learning in Enhancing Data Science Workflows: A Systematic Review. International Journal of Innovations in Science Engineering And Management 2025, 392–397. doi:10.69968/ijisem.2025v4i1392-397
• Exner, T. E.; Dokler, J.; Friedrichs, S.; Seitz, C.; Bleken, F. L.; Friis, J.; Hagelien, T. F.; Mercuri, F.; Costa, A. L.; Furxhi, I.; Sarimveis, H.; Afantitis, A.; Marvuglia, A.; Larrea-Gallegos, G. M.; Serchi, T.; Serra, A.; Greco, D.; Nymark, P.; Himly, M.; Wiench, K.; Watzek, N.; Schillinger, E.-K.; Gavillet, J.; Lynch, I.; Karwath, A.; Haywood, A. L.; Gkoutos, G. V.; Hischier, R. Going digital to boost safe and sustainable materials innovation markets. The digital safe-and-sustainability-by-design innovation approach of the PINK project. Computational and structural biotechnology journal 2025, 29, 110–124. doi:10.1016/j.csbj.2025.03.019
• Li, J.; Zhang, G.; Li, G.; Zhang, J.; Yang, Z.; Yang, L.; Jiang, S.; Wang, J. Harnessing nanoparticles for reshaping tumor immune microenvironment of hepatocellular carcinoma. Discover oncology 2025, 16, 121. doi:10.1007/s12672-025-01897-6

Explore citations to this article at