Veröffentlichungen Dr. Anna Engels-Putzka

Übersicht

Artikel

Theoretische Chemie

  • Dissociating N2: a multi-reference coupled cluster study on the potential energy surfaces of ground and excited states
    A. Engels-Putzka und M. Hanrath
    Molecular Physics 107, 143-155 (2009)
  • Multi-reference coupled-cluster study of the potential energy surface of the hydrogen fluoride dissociation including excited states
    A. Engels-Putzka und M. Hanrath
    Journal of Molecular Structure: THEOCHEM 902, 59-65 (2009)
  • A multi-reference coupled-cluster study on the potential energy surface of N2 including ground and excited states:
    spin projections and wavefunction overlaps
    M. Hanrath und A. Engels-Putzka
    Theoretical Chemistry Accounts: Theory, Computation, and Modeling (Theoretica Chimica Acta) 122, 197-206 (2009)
  • An efficient matrix-matrix multiplication based antisymmetric tensor contraction engine for general order coupled cluster
    M. Hanrath und A. Engels-Putzka
    The Journal of Chemical Physics 133, 064108 (2010)

CFD – Computational Fluid Dynamics

  1. Frey, Christian und Engels-Putzka, Anna und Kügeler, Edmund (2012) Adjoint boundary conditions for turbomachinery flows. ECCOMAS 2012, 10.-14. Sep. 2012, Wien, Österreich. Volltext nicht online.
  2. Engels-Putzka, Anna und Frey, Christian (2012) Adjoint mesh deformation and adjoint-based sensitivities with respect to boundary values. In: Proceedings of the 6th European Congress on Computational Methods in Applied Sciences and Engineering (ECCOMAS 2012). 6th European Congress on Computational Methods in Applied Sciences and Engineering (ECCOMAS 2012), 10.-14. September 2012, Wien, Österreich. ISBN 978-3-9502481-9-7.
  3. Engels-Putzka, Anna und Backhaus, Jan (2013) Adjoint-based Shape Sensitivities for Turbomachinery Design Optimizations. EUROGEN 2013, 7.-9. Okt. 2013, Las Palmas de Gran Canaria, Spanien. (nicht veröffentlicht)
  4. Engels-Putzka, Anna und Backhaus, Jan und Frey, Christian (2014) On the usage of finite differences for the development of discrete linearised and adjoint CFD solvers. In: Proceedings of the 6th. European Conference on Computational Fluid Dynamics – ECFD VI, Seiten 5058-5070. 6th. European Conference on Computational Fluid Dynamics – ECFD VI, 20.-25. Juli 2014, Barcelona, Spanien.
  5. Engels-Putzka, Anna und Frey, Christian (2015) Adjoint Harmonic Balance Method for Forced Response Analysis in Turbomachinery. Proceedings of the VI International Conference on Coupled Problems in Science and Engineering, Seiten 645-656. International Center for Numerical Methods in Engineering, Barcelona, Spanien. VI International Conference on Coupled Problems in Science and Engineering, 18.-20. Mai 2015, Venedig, Italien. ISBN 978-84-943928-3-2.
  6. Backhaus, Jan und Engels-Putzka, Anna und Frey, Christian (2016) a code-coupling approach to the implementation of discrete adjoint solvers based on automatic differentiation. VII European Congress on Computational Methods in Applied Sciences and Engineering, ECCOMAS Congress 2016, 5.-10. Jun. 2016, Kreta, Griechenland.
  7. Engels-Putzka, Anna und Frey, Christian (2016) Sensitivity Analysis for Forced Response in Turbomachinery using an adjoint Harmonic Balance Method. In: Proceedings of the 7th European Congress on Computational Methods in Applied Sciences and Engineering. VII European Congress on Computational Methods in Applied Sciences and Engineering, 5-10 June 2016, Crete Island, Greece.
  8. Engels-Putzka, Anna und Backhaus, Jan und Frey, Christian (2017) Development of an adjoint harmonic balance solver for turbomachinery applications using algorithmic differentiation techniques. International Conference on Evolutionary and Deterministic Methods for Design Optimization and Control with Applications to Industrial and Societal Problems, 13-15 Sep 2017, Madrid, Spain. (Unpublished) Volltext nicht online.
  9. Engels-Putzka, Anna und Frey, Christian (2017) Adjoint process chain for forced response analysis using a harmonic balance method. In: 11th European Conference on Turbomachinery Fluid Dynamics and Thermodynamics, ETC 2015. 12th European Conference on Turbomachinery Fluid dynamics & Thermodynamics, 3-7 Apr 2017, Stockholm, Sweden. Volltext nicht online.

Doktorarbeit

  • An Efficient Implementation of Second Quantization-Based Many-Body Methods for Electrons and its Application to Coupled-Cluster
    with Arbitrary Excitation Level
    A. Engels-Putzka (2010)