Dr. Stefan Milenkovic

Dr. Stefan Milenkovicis a theoretical physicist and Assistant Professor based in Cagliari, Italy, with a PhD in computational biophysics from the Free University of Berlin. His expertise spans molecular dynamics (MD), enhanced sampling techniques, structural biophysics, and machine learning, with a focus on modeling complex systems across scales — from atomic-level interactions to macroscopic behaviors.

Dr. Milenkovic has led pioneering work on molecular transport across bacterial membranes, particularly in Gram-negative pathogens. He is the scientific lead behind MOL2PRED, a predictive AI platform for modeling permeability and accumulation of antibiotics, funded by Sardegna Ricerche. He is also the recipient of an Early Career Award (ECA) from INF-ACT, which recognizes his contributions to AI-driven antimicrobial research.

As a member of the Open Quantum Institute (OQI), he explores the integration of quantum-enhanced computing with classical simulation workflows to predict molecular properties that drive emergent biological behavior.

In addition to his academic achievements, Dr. Milenkovic brings industry experience in applied data science, having worked on scalable modeling pipelines, probabilistic inference, and real-time signal analysis across high-volume datasets.

At Karalis-AI, he brings together a rare combination of physical insight, computational rigor, and data-driven methodology. His mission is to develop explainable, high-resolution AI tools that serve both microscopic applications like drug uptake modeling and broader systems-level predictions — enabling breakthroughs across biotechnology, chemistry, and digital science