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Swedish Theoretical Chemistry 2017 – Bridging Gaps
16 augusti, 12:00 - 18 augusti, 12:00
The theme of the conference 2017 is “Bridging gaps”. The gaps that will be in the focus during the conference is on one hand the gaps between high level quantum Chemistry results and macroscopic measurable quantities. One example is the bridge between transition state energies for a molecular reaction and catalytic activity. This is a way to bridge theory and application as well as theory and experiments. Another gap is the possibility to extend the range of atomic descriptions by embedding schemes where, for example, a quantum mechanical active center is embedded in a classical force fields. A third gap is the traditional differences to tackle the challenge of quantum mechanical calculations within Chemistry and Physics which recently has been reduced by mixing wavefunction and electron density functional calculations. On the applied side of ”Bridging Gaps”, some topics of the symposium are enzymatic processes in biology, spintronics in molecular nanowires, catalysis on graphene, and corrosion mitigating mechanisms from first principles. Moreover, during the conference two scientific
achievements will be awarded. The Björn Roos award is awarded every three years to a scientist who has shown excellence within the development or application of theoretical chemistry methods. The second award is the Inga Fischer-Hjalmars award which is given to the most eminent PhD thesis within theoretical chemistry defended in 2016.