Grp Simulations from Ab Initio Approaches

An international research team, led by Akitoshi Shiotari of the Fritz Haber Institute of the Max Planck Society (FHI, Germany), Mariana Rossi of the Max Planck Institute for the Structure and Dynamics of Matter (MPSD, Germany) and Takashi Kumagai of the Institute for Molecular Science/SOKENDAI (IMS, Japan) has successfully achieved the single-molecule spectroscopic observation of hydrogen (H₂) and deuterium (D₂) confined within a picocavity. The picocavity was formed between a silver nanotip and a silver single-crystal substrate under cryogenic and ultrahigh vacuum conditions, using tip-enhanced Raman spectroscopy (TERS). more

Mariana Rossi, head of a Lise-Meitner Excellence group in MPSD, has been awarded a prestigious ERC Consolidator Grant worth €2 million. The funding will support her project, “Steering the Quantum Dynamics of Confined Molecular Materials” (QUADYMM), over the next five years.  The research aims to uncover how to drive the atomic motion of molecular materials in confinement, in order to modify reaction rates and electronic transport properties with the goal of finding new ways to optimize sustainable technological materials. more

George Trenins, a postdoctoral researcher in the Lise Meitner research group Simulations from Ab Initio Approaches: Structure and Dynamics from Quantum Mechanics, has been selected for a Humboldt Research Fellowship. more

Mariana Rossi, who specializes in computational physical chemistry and leads the Lise Meitner research group Simulations from Ab Inition Approaches: Structure and Dynamics from Quantum Mechanics at the MPSD, has been awarded the prestigious Nernst-Haber-Bodenstein Prize 2024 by the German Bunsen Society. more

13 school students took part in this year’s Girls’ and Boys’ Day at the MPSD. They got to try out experiments involving light refraction, magnet-battery motors, atomically thin graphene as well the transmission speeds of signals - and they had a lot of fun in the process.  more