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Paderborn University in spring. Show image information

Paderborn University in spring.

Photo: Paderborn University, Kamil Glabica.

Dr. Robert Schade

Dr. Robert Schade

Paderborn Center for Parallel Computing (PC2)

Member - Research Assistant - Scientific Advisor Theoretical Physics/Chemistry

+49 5251 60-1738
Pohlweg 51
33098 Paderborn

A Submatrix-Based Method for Approximate Matrix Function Evaluation in the Quantum Chemistry Code CP2K, Michael Lass, Robert Schade, Rhomas D.Kühne, Christian Plessl; accepted for publication at SC20,

CP2K: An electronic structure and molecular dynamics software package - Quickstep: Efficient and accurate electronic structure calculations, J. Chem. Phys. 152, 194103 (2020);

PhD. thesis, New methods for the ab-initio simulation of correlated systems,

Adaptive cluster approximation for reduced density-matrix functional theory, Robert Schade and Peter E. Blöchl, Phys. Rev. B 97, 245131 (2018)

Reduced density-matrix functionals from many-particle theory, Robert Schade, Ebad Kamil and Peter Blöchl, Eur. Phys. J. Special Topics 226, 2677-2692 (2017),

Reduced density-matrix functionals applied to the Hubbard dimer, Ebad Kamil, Robert Schade, Thomas Pruschke, and Peter E. Blöchl, Phys. Rev. B 93, 085141 (2016)

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