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Theoretical Chemistry

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Prof. Dr. Martin Schütz

Foto Schütz
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  • Ch 14.3.80, ( -> Campus Navigation)
  • +49 (0)941 943 4717
  • +49 (0)941 943 4719
  • Group Leader

 

Latest Publications (All Publications)

  1. M. Schütz, L. Maschio, A. J. Karttunen, D. Usvyat, Exfoliation Energy of Black Phosphorus Revisited: A Coupled Cluster Benchmark, J. Phys. Chem. Lett., 8, 1290 (2017).
  2. O. Masur, M. Schütz, L. Maschio, D. Usvyat, Fragment-based direct-local-ring-coupled-cluster doubles treatment embedded in the periodic Hartree-Fock solution, J. Chem. Theory Comput., 12, 5145 (2016).
  3. G. Wälz, D. Usvyat, T. Korona, and M. Schütz, A hierarchy of local Coupled Cluster Singles and Doubles response methods for Ionization Potentials, J. Chem. Phys., 144, 084117 (2016).
  4. G. Sansone, L. Maschio, D. Usvyat, M. Schütz, A. J. Karttunen, Towards an Accurate Estimate of the Exfoliation Energy of Black Phosphorus: a Periodic Quantum Chemical Approach, J. Phys. Chem. Lett., 7, 131 (2016).
  5. M. Schütz, Oscillator strengths, first-order properties, and nuclear gradients for local ADC(2), J. Chem. Phys., 142, 214103 (2015).
  6. D. Usvyat, L. Maschio, M. Schütz , Periodic local MP2 method employing orbital specific virtuals , J. Chem. Phys., 143, 102805 (2015).
  7. J. Yang, W. Hu, D. Usvyat, D. Matthews, M. Schütz, G. K.-L. Chan, Ab initio determination of the crystalline benzene lattice energy to sub-kilojoule/mole accuracy, Science, 345, 640 (2014).
  8. R. Martinez-Casado, D. Usvyat, G. Mallia, L. Maschio, S. Casassa, J. Ellis, M. Schütz and N. M. Harrison , Diffraction of helium on MgO(100) surface calculated from first-principles, Phys. Chem. Chem. Phys., 16, 21106 (2014).
  9. S. Loibl and M. Schütz, Magnetizability and rotational g tensors for density fitted local second-order Møller-Plesset perturbation theory using gauge-including atomic orbitals, J. Chem. Phys., 141, 024108 (2014).
  10. M. Schütz, O. Masur and D. Usvyat, Efficient and accurate treatment of weak pairs in local CCSD(T) calculations. II. Beyond the ring approximation, J. Chem. Phys., 140, 244107 (2014).

Short Biography

Martin Schütz was born 1963 in Burgdorf, Switzerland. He received his diploma in 1989 and his PhD degree in Physical Chemistry in 1993 at the University of Bern, Switzerland, working with Prof. S. Leutwyler on vibronic spectroscopy of solvent clusters. After his PhD he moved to theory. From 1993-1994 he worked at the Interdisciplinary Project Centre for Supercomputing of the ETH in Zürich. In 1994 he joined the group of Prof. B. Roos in Lund, Sweden, and in 1997 he moved further to Stuttgart to join the group of Prof. H.-J. Werner, where he completed his Habilitation in Theoretical Chemistry in 2001. In 2002 he was appointed to Hochschuldozent (C2) at the University of Stuttgart. In 2004 he accepted a professorship for Theoretical Chemistry at the University of Regensburg. His research interests focus on the development of ab initio electronic structure methods for extended molecular systems (local correlation methods), electronically excited states,and intermolecular interactions.

Curriculum Vitae

 
Last Modified: Wednesday, May 17, 2017 [10:52:58].