123H Publications

GRK 123H

Radiochimica Acta

An LSC approach for tritium determination in gaseous mixtures optimized with respect to handling, reaction parameters and miniaturization towards microfluidic analysis

The handling and analysis of gaseous tritium is of interest for hydrogen isotope separation experiments. In this work, we present an easy-to-handle setup for catalytic oxidation to HTO, recovering all of the initially dosed gaseous tritium as determined by LSC, using CuO as a catalyst at a reaction…

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GRK 123H

The Journal of Physical Chemistry Letters

Reinforcement learning for traversing chemical structure space: Optimizing transition states and minimum energy paths of molecules

In recent years, deep learning has made remarkable strides, surpassing human capabilities in tasks, such as strategy games, and it has found applications in complex domains, including protein folding. In the realm of quantum chemistry, machine learning methods have primarily served as predictive…

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