معرفی
Dr. Emiliano Ippoliti is a Senior Scientist at the Institute of Neuroscience and Medicine (INM-9: Computational Biomedicine) at Forschungszentrum Jülich GmbH, Germany. His primary focus is on advancing high-performance computing methodologies for biological systems, particularly classical and ab initio molecular dynamics, and developing tools like the MiMiC framework for multiscale simulations. He holds a Master's in Physics (University of Pisa, 2001) and a PhD in Theoretical Physics (University of Trieste, 2005), followed by postdoctoral research at SISSA/ISAS and the German Research School for Simulation Sciences.
His research integrates quantum mechanics/molecular mechanics (QM/MM), exascale computing, and drug design, addressing challenges in membrane transport, enzyme mechanisms, and drug permeation. Recent work includes studies on CLC transporters, PETase enzyme dynamics, and computational drug screening. He has authored over 40 publications and serves as a referee for PRACE and journals such as Journal of Chemical Theory and Computation.
Key contributions include:
- Developing MiMiC and MiMiCPy for scalable QM/MM simulations
- Advancing understanding of proton transport in biological systems
- Modeling drug interactions with cell membranes and ion channels
No specific awards are listed, but his work is recognized through extensive peer-reviewed output. He collaborates internationally in exascale computing initiatives and contributes to the Computational Biomedicine group at Jülich.
