Events

Host: Christian Carbogno

Clathrate Superhydrides Under High Pressure: A Class of Extraordinarily Hot Conventional Superconductors

A Joint Seminar of the NOMAD Laboratory and of the Ma group
In this talk, I will first give a short introduction to the research activities that have been carried out in my group in recent years and, then, give an overview on the current status of research progress on pressure-stabilized superhydrides that show near room-temperature superconductivity. [more]

Addressing the Surface Composition and Structure under Catalytic (T, p) Conditions

A Joint Seminar of the NOMAD Laboratory and of the Ma group
A prerequisite for reaching a microscopic understanding of heterogeneous catalytic is the identification of the catalyst surface composition and structure under catalytic (T, p) conditions. For decades, ab initio atomistic thermodynamic (aiAT) has been very successful in predicting phase diagrams for surfaces at realistic (T, p) conditions. [more]

Next Generation Extended Lagrangian First Principles Molecular Dynamics

Quantum-based Born-Oppenheimer molecular dynamics (QMD) simulations, where the interatomic forces are calculated on the fly from a relaxed quantum-mechanical description of the electronic structure in each time step, is often considered the gold standard for molecular dynamics simulations. [more]
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