Hauke Westemeier, Universität Marburg, Deutschland
t. b. a. (application for a PhD position)
Robert Send, Institut f. Technologie, Karlsruhe, Deutschland
Radiationless decay by internal conversion
Yunlong Xiao, Technische Universität Darmstadt, Deutschland
Four-Component Relativistic Methods for Magnetic Properties
Michele Ceriotti, ETH Zürich, Schweiz
Fermi Operator expansion for Linear Scaling electronic structure calculations
Jeremiah Wilke, Universität Georgia, Athens, USA
Density Matrix-Based Treatments of Electron Correlation: Direct R12 Methods in the AO Basis
Andy Simmonett, Universität Georgia, Athens, USA
Density Cumulant Functional Theory: The DCFT-06 Model
Trygve Helgaker, Universität Oslo, Norwegen
Molecules in Strong Magnetic Fields
Anna Krylov, Universität California, Los Angeles, USA
Puzzling aspects of the electronic structure of the anionic forms of p-coumaric acid
Alexey Timoshkin, Universität St. Petersburg, Russland
Donor-Acceptor Complexes of Inorganic Heterocycles
Anna Engels-Putzka, Universität Köln, Deutschland
Factorization of general-order coupled-cluster equations
John F. Stanton, Universität Texas, Austin, USA
How to construct a quasidiabatic Hamiltonian
Sam Azadi, International School f. Advanced Studies
Systematically convergent method for accurate total energy calculations with localized atomic orbitals
Andrew Duff, Universität Delft, Niederlande
Diffusion of C in bcc Fe in the presence of Al, Si, Mn and Nb
Annika Bande, Universität Heidelberg, Deutschland
LiH Potential Energy Curves for Ground and Excited States with the Free-Complement Local Schrödinger Equation Method
Peter Szalay, Universität Budapest, Ungarn
UV Spectroscopy of Cytosine: Theory and Experiment
Udo Benedikt, MPI Düsseldorf, Deutschland
Recent Progress in Tensor Decomposition for Post-Hartree-Fock Methods
Bernd Lunkenheimer, Universität Mainz, Deutschland
Energytransferparameter of Aluminium-tris (8-hydroxychinolin)
Werner Schwalbach, Universität Mainz, Deutschland
Calculation of relativistic corrections using 6th order Direct Perturbation Theory
Michael Hanrath, Universität Köln, Deutschland
Efficient Implementation of General Order Coupled Cluster
Rustam Z. Khaliullin, ETH Zürich, Schweiz
Artificial intelligence in ab initio molecular dynamics simulations: neural-network potentials for carbon and sodium
Rustam Z. Khaliullin, ETH Zürich, Schweiz
Taking locality to the extreme: absolutely localized molecular orbitals for faster computations and physical insight
Eliot Boulanger, Universität Brüssel, Belgien
A dipole field QM/MM model for modeling inductive effect
Florian Schiffmann, Universität Zürich, Schweiz
An Atomistic Picture of the Active Interface in Dye Sensitized Solar Cells
Sven Thorwirth, Universität Köln, Deutschland
Kohlenstoff-Silizium Cluster
Thomas Giesen, Universität Köln, Deutschland
Spektroskopie an kalten Molekülen im Jet
Dimitrij Rappoport, Universität Harvard, Cambridge, USA
Modeling Molecules on Surfaces
Cristina Puzzarini, Universität Bologna, Italien
Benchmarking quantum chemistry with high-resolution rotational spectroscopy