Extracting Chemistry From Core-Level Spectroscopies: Combining Theory And Experiment

The goal of X-Ray Photoelectron Spectroscopy, XPS, and X-Ray Adsorption Near Edge Spectroscopy, XANES, is to obtain information about the chemical interactions and bonding in the compound studied. [more]

Mass spectrometry in electrocatalysis research

Understanding reaction mechanisms is the key to developing new chemical reactions. [more]

MP Department Seminar by Marissa L. Weichmann

Some thoughts on high-accuracy quantum chemistry: Thermochemistry and Spectroscopy

TH-Seminar: Prof. Julia Westermayr

Homogeneous Bose gases driven far from thermal equilibrium

Far-from-equilibrium systems are ubiquitous in nature, such as in glasses, active matter, and turbulence, but are still poorly understood when compared to the unifying description of thermodynamics for systems in thermal equilibrium. [more]

From BayBE Steps to Giant Leaps - Industrial Applications of Modern Bayesian Optimization

Bayesian optimization is an old technique revived by using machine learning models at its core. This enables a plethora of extensions that really make the technique a great match for several real world applications. We showcase several examples such as custom and chemical encodings, transfer learning and slot-based mixture modelling enabled by our open-source code BayBE ( [more]

Tabletop transient NEXAFS spectroscopy with a laser-produced plasma source

Laboratory-based laser-produced plasma (lpp) soft X-ray sources achieve high brightness and stability in the EUV and XUV range. With emission energies beyond 1.6 keV and stable operating times in the range of hours, they already offer numerous experimental possibilities that are independent and supplemental to investigations at large scale facilities. [more]

Elucidation and Control of Advanced Photofunctions based on Excited States in Molecular Materials

Microscopic understanding of exciton physics in molecular materials for optoelectronics is a great challenge because of their complexity resulting from strong electron-phonon coupling and perhaps interaction to spin degree of freedom, electron spin-flip of intersystem crossing in molecular optoelectronic materials are strongly connected to molecular geometries in the excited states and vibronic coupling, and singlet fission, ultrafast generation of a correlated triplet pair state from a singlet excited state, is viewed as an extreme example of a concerted process of electron-phonon-spin degrees of freedom. [more]

MP Department Seminar by Carlos Sias

TH-Seminar: Prof. Bettina G. Keller

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