معرفی
Dr. Davide Mandelli is a Researcher at the Research Center Jülich's Institute of Neuroscience and Medicine (INM-9), specializing in Computational Biomedicine. His work focuses on advancing computational methods for drug design, molecular dynamics simulations, and material science. Key areas include the development of QM/MM algorithms, exascale computing frameworks, and enhanced sampling techniques to study ligand-receptor interactions and material behavior at atomic scales.
He contributes to high-performance computing projects like the JUWELS Booster supercomputer, optimizing algorithms for distributed systems. His research bridges computational chemistry, bioinformatics, and engineering, addressing challenges in pharmaceutical applications and nanotechnology. Notable projects include the MiMiC toolkit for multiscale simulations and studies on superlubricity in layered materials.
Mandelli's work spans from fundamental physics to applied drug discovery, emphasizing interdisciplinary collaboration. His publications highlight innovations in parallel computing, free energy calculations, and the integration of machine learning into molecular simulations.
