Seminars 2018

18.12.2018

Filippo Lipparini
University of Pisa, Italy
General linear scaling implementation of polarizable embedding schemes

14.12.2018

Spectroscopic characterization of sulfur-containing molecular systems
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Silvia Alessandrini
University of Bologna, Italy
Benchmark quantum-chemical computations for rotational spectroscopy

Cristina Puzzarini
University of Bologna, Italy
Rotational spectroscopy of radicals and molecular complexes

21.11.2018

Peter Taylor
Tianjin University, Tianjin, China
Lossless compression of wave functions: a gzip for quantum chemistry

25.10.2018

Toru Shiozaki
Department of Chemistry, Northwestern University, Evanston, USA
CASPT2 non-adiabatic dynamics

19.10.2018

Marios-Petros Kitsaras
Freie Universität Berlin
Theoretical Study of (Ne,Ar)NiFn, n=1-3, and their Monocations

18.10.2018

Florian Lemken
RWTH Aachen
Comparison of Spin-State Accuracy of Iron Complexes for DFT and MRPT Methods

23.08.2018

Anna Gomer
Mulliken Center for Theoretical Chemistry, Universität Bonn
Nitrogen Doping in Zinc Ferrite

05.07.2018

Michele Cascella
Hylleraas Centre of Quantum Molecular Science, University of Oslo, Norway
Entropy-driven polymorphism in micellar aggregates of a charged surfactant — a multi-scale study