Johannes C. B. Dietschreit

Postdoctoral Fellow, DMSE, MIT

Recipient of the Postdoc Scholarship by the German Academy of Science Leopoldina

Email: jdiet


2020: Doctorate in Theoretical Chemistry
2016: M.Sc. Chemistry
2014: B.Sc. Biochemistry

Background and Research Interests

As a research assistant at the Free University of Berlin, I studied the effect of different self-avoiding polymer models when generating conformer ensembles and compared them with MD based results, especially for PEG. During my doctorate, I performed research with regards to several topics, which included simulating reaction mechanisms within enzymes, computing ensemble averages of spectroscopic observables for small organic radicals as well as large bimolecular complexes, and lastly the determination of free vibrational energy via the vibrational density of states function. The common denominator of all these projects was the importance of sampling to build models that are comparable with experiment. My current research interest focus on the improvement of choosing collective variables when generating free energy profiles for chemical reactions. 


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