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Predicting the stability of crystalline materials is essential for developing advanced materials and pharmaceuticals. Researchers developed a new thermodynamic integration framework that calculates Gibbs free energies entirely under constant-pressure conditions, improving accuracy while simplifying the workflow. The method was validated using ice polymorphs and CsPbI₃ and relied on more than 10,000 GPU hours on VSC infrastructure.

Researchers at VUB developed a patient-relevant orthotopic lung cancer model and combined SEPARATE-Seq with spatial transcriptomics to map the immune landscape of lung tumours. Supported by VSC's high-performance computing infrastructure, the study provides new insights into immune cell behavior and offers a valuable resource for cancer immunology and future therapy development.

Researchers developed the Generalized Van Cittert-Zernike Schell propagator, a new algorithm for simulating partially coherent light with unprecedented efficiency. The method achieves up to 100× faster computation and 1000× higher accuracy compared to existing approaches, enabling advanced optical simulations for holography, imaging, and photonics using VSC’s high-performance computing infrastructure.

Using large-scale molecular dynamics simulations, this research quantifies the self-diffusivity of boron in high-temperature CaO–SiO₂–Al₂O₃ slags relevant to silicon recycling. Enabled by VSC Tier-1 supercomputing resources, the study provides diffusion values consistent with diffusion-controlled experiments and clarifies the role of convection in industrial and laboratory systems.

Researchers used population pharmacokinetic modeling and Monte Carlo simulations to optimize fluconazole dosing in critically ill patients. By analyzing data from multiple studies, the work identifies body weight and continuous renal replacement therapy (CRRT) as key factors influencing drug exposure and proposes a model-informed dosing strategy to improve target attainment in intensive care settings.

VSC has unveiled sofia, the new Flemish Tier-1 supercomputer hosted at the VUB Nexus Datacenter in Zellik. With high energy efficiency, strong GPU performance, and broad applications across science and industry, sofia marks a major step forward for research and innovation in Flanders. Explore the full story, technical details, and media coverage in our latest update.