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, Universität Oslo, Norwegen
Entropy-driven polymorphism in micellar aggregates of a charged surfactant — a multi-scale study