Leveraging Nuclear Quantum Effects in Molecular Dynamics with HPC Software for Advanced Simulations and Cross-Disciplinary Research.
Nuclear Quantum Effects (NQE), such as tunneling, vibrational zero-point energy (ZPE), and isotope effects, play a pivotal role in atomic-scale simulations, particularly in materials science, catalysis, and drug discovery. However, the prohibitive...
How HPC made it possible to take a photo of a black hole.
I will briefly discuss how the first images of the supermassive black holes M87 and Sgr A were obtained by the EHT collaboration. In particular, I will describe the theoretical aspects that have allowed us to model the dynamics of the plasma accreting onto the black hole and how such dynamics was used to generate synthetic...
