Category: News

X-ray measurements challenge theory

In a recent work, our colleagues from Bristol challenged us by measuring the anisotropic thermal expansion of the most stable Carbamazepine polymorph, an antiepileptic, antioconvulsant, bipolar disorder treatment drug. This API is used to demonstrate how the thermal expansion can

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CRYSTAL17 has been released

The new version of CRYSTAL has been released a few days ago. This is a major release with many improved parts. I’m happy to have contributed with work on London dispersion interactions, semi-classical corrections for basis set errors, and composite

ACS editors choice

Our article on “Thermochemistry of Racemic and Enantiopure Organic Crystals for Predicting Enantiomer Separation” has been chosen as ACS Editors’ Choice. We show how different crystal packings in racemic and enentiopure crystals lead to different thermodynamic stabilities. This can possibly

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100 citations in 1 year

Our chemical review on “Dispersion-corrected mean field electronic structure methods” published last year in the “Noncovalent interaction” special issue received a lot of attention. According to the google scholar database our article was cited over 100 times within one year

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Public outreach by the University Society Bonn

My research has been promoted by the University Society Bonn with articles in their annual review and the University magazine Forsch. A documentation of the awards ceremony is uploaded here. Thanks again for the broad professional and personal support!

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Identified as Top Reviewer for JCP 2016

The Journal of Chemical Physics from the American Institute of Physics appreciates the efforts of the peer-review community and identified me as one of the top reviewer 2016. It is important to have scientists, who voluntarily, and without remuneration, provide

Young Investigator Award

The Sanibel Symposium is organized yearly by the University of Florida’s Quantum Theory Project and is well known as the “Theory Meeting for Theoreticians”. I’m very happy that they recognized my contributions to the field and honored me with the

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PhD prize of the University society Bonn

A good reason to celebrate: The university society Bonn awards me the PhD prize 2016. The prize is given once a year for the best PhD thesis over all disciplines. Eligible theses have to be outstanding with scientific relevance far beyond

On the stability of two-dimensional ice

The stability of so-called two-dimensional (2D) ice is re-evaluated. Recent experiments on ice formed by water under nanoconfinement provide evidence for a two-dimensional (2D) “square ice” phase. However, the interpretation of the experiments has been questioned and the stability of

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Strongly constrained semilocal functional with a long-range dispersion correction

My work with John Perdew and co-workers from Philadelphia showed how their newest meta-GGA functional SCAN can be combined with an efficient London dispersion correction. The combined SCAN-D3 methodology is shown to outperform all other density functional of the same