Seminare 2013

05.12.2013

Jörg Behler, Lehrstuhl für Theoretische Chemie, Ruhr-Universität Bochum
High-Dimensional Neural Network Potentials for Large-Scale Simulations

22.10.2013

K. Ruedenberg, Department of Chemistry, Iowa State University
Physical Origin of Covalent Bonding

17.07.0213

Ludwik Adamowicz, Department of Chemistry, University of Arizona
CASCCSD, State-Selective Multi-Reference Coupled-Cluster Method with CASSCF Reference

02.07.2013

Marcel Nooijen, Department of Chemistry, University of Waterloo
Multireference Equation of Motion Coupled ClusterTheory with Applications to Molecular Spectroscopy

27.06.2013

Evgeny Epifanovsky, Department of Chemistry, University of California at Berkeley
Resolution-of-the-Identity and Cholesky Decompositions in Coupled Cluster and Equation-of-Motion Theories

23.05.2013

Tobias Schwabe, Zentrum für Bioinformatik,Universität Hamburg
Polarizable Embedding: A More Accurate Modelling of Environmental Effects on Excitation Energies

22.05.2013

Filippo Lipparini, Institut du Calcul et de la Simulation, Université Pierre et Marie Curie, Paris
A (Very) Fast Domain Decomposition Algorithm for Continuum Solvation

22.04.2013

Zhenggang Lan, Qingdao Institute of Bioenergy and Bioprocess Technology, Chinese Academy of Sciences
On-the-Fly Trajectory Surface-Hopping Methods to Explore Nonadiabatic Dynamics

07.01.2013

Lalita S. Uribe Ordonez, Università degli Studi di Perugia
t.b.a.