Scientific degrees
Diploma in Chemistry Johannes Gutenberg University Mainz (2003)
PhD (Dr. rer. nat.) Johannes Gutenberg University Mainz (2008)
Previous Positions
Turbomole GmbH, Karlsruhe, Germany (07/2019 - 01/2021)
Institute of Physical Chemistry (IPC) at the KIT (10/2018- 04/2019)
Institute of Nanotechnology (INT) at the KIT (09/2011- 10/2018)
University of Texas at Austin, USA (12/2008 - 08/2011)
Johannes Gutenberg University Mainz, Germany (03/2003 -11/2008)
Software
Together with the groups of J.F. Stanton (Austin, TX, USA), J. Gauss (Mainz, Germany) and P.G. Szalay (Budapest, Hungary), I contribute to the development of the CFOUR quantum chemistry package, which is freely distributed to all interested parties. For more infomation about CFOUR, see: www.cfour.de.
Selected Publications
- J.-F. Greisch, M. E. Harding, B. Schäfer, M. Ruben, W. Klopper, M. M. Kappes, and D. Schooss
Characterization of nonanuclear europium and gadolinium complexes by gas phase luminescence spectroscopy
J. Phys. Chem. Lett. 5, 1727 (2014)
- M. E. Harding and W. Klopper
Systematic construction of complementary auxiliary basis sets from and for atomic natural orbitals
Mol. Phys., 111, 2585-2593 (2013)
- M. E. Harding and W. Klopper
Benchmarking the Lithium–Thiophene Complex
ChemPhysChem. 14, 708–715 (2013)
- M. E. Harding, J. Vázquez, J. Gauss, J. F. Stanton, and M. Kállay
Towards Highly Accurate ab initio Thermochemistry of Larger Systems: Benzene
J. Chem. Phys., 135, 044513 (2011)
- J. Vázquez, M. E. Harding, J. F. Stanton, and J. Gauss
Vibrational Energy Levels via Finite-Basis Calculations using a Quasi-Analytic Form of the Kinetic Energy
J. Comp. Theor. Chem., 7, 1428-1442 (2011)
- M. E. Harding, J. Vázquez, B. Ruscic, A. K. Wilson, J. Gauss, and J. F. Stanton
HEAT: High Accuracy Extrapolated Ab initio Thermochemistry. III. Additional Improvements and Overview
J. Chem. Phys., 128, 114111/1-15 (2008)
- M. E. Harding, T. Metzroth, J. Gauss, and A. A. Auer
Parallel Calculation of CCSD and CCSD(T) Analytic First and Second Derivatives
J. Chem. Theor. Comp., 4, 64-74 (2008)
Full publication lists can be found at:
https://publons.com/researcher/2869037/michael-e-harding/
https://orcid.org/0000-0002-3633-493X
https://www.scopus.com/authid/detail.uri?authorId=23110437100
https://scholar.google.com/citations?user=Pm1P2rcAAAAJ .