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April Cooper

Institute for Theoretical Chemistry
Kästner Group


+49 711 685-63758
+49-(0)711-685 64442

Pfaffenwaldring 55
70569 Stuttgart
Room: 1.833

  1. Averaging techniques for reaction barriers in QM/MM simulations” April M. Cooper, Johannes Kästner, ChemPhysChem, 153264–3269(2014)
  2. Potential energy surface interpolation with neural networks for instanton rate calculations” April M. Cooper, Philipp P. Hallmen, and Johannes KästnerJ. Chem. Phys. 148, 094106 (2018)
  3. "Low-Temperature Kinetic Isotope Effects in CH3OH + H → CH2OH + H2 Shed Light on the Deuteration of Methanol in Space" April M. Cooper, Johannes Kästner, J. Phys. Chem. A 2019, 123, 42, 9061-9068
  4. "Efficient training of ANN potentials by including atomic forces via Taylor expansion and application to water and a transition-metal oxide" Cooper, A.M., Kästner, J., Urban, A. et al. npj Comput Mater 6, 54 (2020)
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