Charlotte Walter

The greatest aspect about being a computational chemist or more specifically being a quantum chemist at our company is the opportunity to work with many different people in many different research projects.

Perspective

The greatest aspect about being a computational chemist or more specifically being a quantum chemist at our company is the opportunity to work with many different people in many different research projects. Both the people and the scientific subjects make everyday work very diverse and always highly interesting. Furthermore, modern quantum chemical methods on the one hand and organic semiconductors and OLEDs in particular on the other hand are very dynamic and active areas of research. Their combination, i.e., applying the former - the new quantum-chemical methods - to the latter - the current research problems in OLED - is thus really fun. Hearing all these different perspectives and ideas on diverse fields of modern material research on a daily basis is of course not only a chance, but also a challenge: computational chemistry is perceived in various ways by other scientists, and their expectations on the applicability and feasibility of quantum-chemical methods differ significantly. Nevertheless, industrial quantum chemistry can contribute most to the development of new materials only if both its capabilities and its limits are correctly assessed. After all, knowing the limits of quantum-chemical methods is the first step towards a further improvement of the in-silico description of new materials, and I am convinced that new understanding of material properties will increasingly depend on the understanding provided by - yet to be improved - quantum-chemical methods.

The greatest aspect about being a computational chemist or more specifically being a quantum chemist at our company is the opportunity to work with many different people in many different research projects.Computational Chemist.

Charlotte Walter

Computational Chemist

Profile

Joined Merck KGaA, Darmstadt, Germany: 2017

Key research fields and topics:

  • Applied modern quantum chemistry
  • Density functional theory
  • Intermolecular interactions
  • Excited states
  • Charge-transfer states
  • Organic semiconductors
  • Energy and electron transfer
  • Charge transport

Prizes and awards:

  • “Gemeinsamer Promotionspreis der Unterfränkischen Gedenkjahrstiftung und der Universität Würzburg” (University Award PhD Thesis)
  • Faculty Award Master of Science
  • Faculty Award Bachelor of Science
  • Scholarship ”Max-Weber-Programm Bayern“

CV & Scientific activities

CV: Education

CV: Education

CV: Professional Career

CV: Professional Career

References

Conferences

  • STC 2018 (Symposium on Theoretical Chemistry) in Halle/Saale, 09/2018 International Conference on Simulation of Organic Electronics and Photovoltaics, SimOEP, 09/2018 
  • GRK (Graduiertenkolleg = research training school) conference “Molecular Biradicals” in Würzburg, 09/2016 talk and poster presentationVirtual Winter School on Computational Chemistry single figure presentation, 02/2016 
  • STC 2015 (Symposium on Theoretical Chemistry) in Potsdam poster presentation, 09/2015 
  • FOR1809 (Forschergruppe = research unit) conference ”Light-induced dynamics“ in Würzburg talk, 06/2015
  • GRK symposium „Electronic Properties of π-Conjugated Materials III” in Würzburg poster presentation, 03/2015 
  • SPP-Workshop (Schwerpunktprogramm = priority program) ”Elementary Processes in Organic Photovoltaics“ in Bad Honnef poster presentation, 01/2015
  • Heraeus seminar ”Charge-Transfer Effects in Organic Heterostructures: Fundamentals and Applications“ in Bad Honnef poster presentation, 12/2014 
  • WATOC (World Association of Theoretical and Computational Chemists) meeting in Santiago de Chile poster presentation, 10/2014
  • GRK conference ”Design of Electronic Properties of Aggregates in π- Conjugated Systems“ in Würzburg poster presentation, 09/2014

 

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