Upcoming Events in the CMTC

Past Events in the CMTC

Monday, 21.6.2021:  CMTC/IVV NWZ Symposium Research Data Management

9:00 Research data management and how to get started with the help of electronic lab notebooks -- Dr. Magdalene Cyra (FDM.nrw/ELB.nrw)
9:45 RDM Services at the WWU -- Dr. Frank Berkemeier (WWU Serice Center RDM)
10:15-10:30 Break
10:30 NOMAD – A federated data infrastructure for FAIRmat -- Dr. Markus Scheidgen (HU Berlin & NOMAD)
11:15 Research data infrastructure and services for interactive data analysis at WWU -- Dr. Markus Blank-Burian (WWU-IT)
11:45-13:00 Lunch break
13:00 Development and use of electronic lab notebooks (ELNs) within NFDI4Chem: components and embedding in the NFDI4Chem infrastructure -- Dr. Nicole Jung (KIT & NFDI4Chem)
13:45 Data standards, storage and benchmarking of numerical quantum chemistry: where we are and future challenges -- Prof. Ricardo Mata (U Göttingen & NFDI4Chem)
14:30-14:45 Break
14:45 NFDI4BioDiversity - Konsortium für Biodiversität, Ökologie und Umweltdaten -- Dr. Barbara Ebert (Gesellschaft für Biologische Daten e.V.)
15:30 OMERO - Research Data Management for Microscopy Data -- Dr. Thomas Zobel (WWU Imaging Network)
16:00 end
For registration, please send an email to cmtc@wwu.de.

Thursday, 20.5.2021: Prof. Dr. Stefan Grimme (University of Bonn)

Low-cost quantum chemistry methods
via Zoom

Wednesday, 5.5.2021: CMTC Mini-Symposium Quantum Embedding Methods

14:00 Opening remarks
14:05 Talk Tomasz Wesolowski, University of Geneva
"Extension of Frozen-Density Embedding Theory to non-variational treatments of electron-electron correlation"
14:35 Discussion
14:40 Talk Sebastian Höfener, Karlsruhe Institute of Technology
15:10 Discussion
15:15 Talk Christoph Jacob, Technical University Braunschweig
"Combining Subsystem-DFT with the Many-Body Expansion"
15:45 Discussion
15:50 Break
16:20 Talk Sandra Luber, University of Zurich
"Dynamic Approaches for Spectroscopy in the Condensed Phase"
16:50 Discussion
16:55 Talk Michele Pavanello, Ruttgers University, Newark
"Pushing the Accuracy and Applicability of Subsystem and Orbital-Free DFT with New Functionals and New Software"
17:25 Discussion
17:30 Concluding Remarks

Montag, 1.3.2021: Dr. Marcel Quennet (Quantum-on-Demand Technolgies GmbH, Berlin)
From theoretical chemistry to economic practice
via Zoom

11.03.-13.03.2020: Workshop

Computing Free Energy: Few2020

Wednesday, 13.11.2019: Dr. Moritz Cygorek (University of Ottawa, Canada)
Electronic Structure, Manybody Effects and Phonon-assisted Dynamics in Semiconductor Quantum Dots
10:15 h, Seminar room 718, Wilhelm-Klemm-Str. 10

Friday, 19.07.2019 Prof. Dr. Michele Pavanello (Rutgers University, US)
Mean-field Methods for Ground and Excited States with Multireference Character
11:00 h, Seminar room 4.23, Corrensstr. 40

Monday, 01.07.2019: Dr. Roberto Rosati (Chalmers University, Sweden)
On-situ control of quantum states by carrier capture in 2D materials
15:15 h, Seminar room 87, Wilhelm Klemm-Str. 10

Thursday, 27.06.2019: Marvin Segler (Benevolent AI, UK)
AI and Machine Learning for Synthesis Planning and Molecular Design
17:15 h,  Lecture hall C2,  Wilhelm-Klemm-Str. 6

Wednesday, 22.05.2019Dr. Milica Feldt (KU Leuven, Belgium)
Local Correlation Methods for the Study of Transition Metal Complexes
10:00 h, Seminar room 4.23, Corrensstr. 40

Thursday, 16.05. 2019: CMTC Mini-Symposium on Uncertainty in Quantum Chemistry
14.30h - 18.00h., Lecture hall A1,  Wilhelm-Klemm-Str. 6

14:30

Prof. Dr. Carmen Hermann (Universität Hamburg, Germany)

Towards a first-principles description of chiral induced spin selectivity

15:05

Prof. Dr. Claudia Filippi (Universiteit Twente, Netherlands)

A rigorous framework to model photo-excitations in quantum Monte Carlo 

15:40

Johannes Tölle (WWU Münster, Germany)

 Exact subsystem time-dependent density-functional theory

16:00 break
16:30

Prof. Dr. Christoph Jacob (TU Braunschweig, Germany)

Uncertainty Quantification in Theoretical Spectroscopy

17:05

Prof. Dr. Markus Reiher (ETH Zürich, Switzerland)

Uncertainty quantification in quantum chemical calculations

17:40

David Schnieders (WWU Münster, Germany)

Reaction-Specific Molecular Descriptors: The Metal-Hydride Vibration 

Friday, 22.02.2019 Dr. Tobias Gensch (University of Utah, US)
Quantitative analysis of catalytic transformations - examples from C-H activation and phosphine-based catalysis
13:00 h, Lecture hall C2, Wilhelm-Klemm-Str. 6

Thursday, 31.01.2019 Prof. Dr. Joachim Dzubiella (Helmholtz Zentrum Berlin, Germany)
Multiscale modelling of stimuli-responsive Nanoreactors
11:15 h, Seminar Room W428,  Corrensstr. 28/30

Wednesday, 07.11.2018: Dr. Sang Soon Oh (Cardiff University, UK)
Chiral light-matter interaction in dielectric photonic topological insulators
10:15 h, Seminar room 718, Wilhelm-Klemm-Str. 10

Monday, 02.07.2018: Dr. Judith B. Rommel (University of Cambridge, UK)
Predictive Multiscale Modelling in Materials Sciences: Chemisorption of Glycine on Cu(110)
14:30 h, Lecture Hall C2, Wilhelm-Klemm-Str. 6

Wednesday, 04.07.2018: Dr. Michael Lorke (Universität Bremen, Germany)
Optoelectronic properties of nanostructured devices
14:00 h, Seminar room 718, Wilhelm-Klemm-Str. 10

Monday, 11.06.2018: Birthday colloquium on the occasion of the 70th Birthday of Prof. Dr. E.- U.  Würthwein

PD Dr. Ralf Tonner (Philipps-Universität Marburg, Germany)
Organic chemistry at surfaces - from numbers to insight
17:15 h, Lecture Hall C2, Wilhelm-Klemm-Str. 6

Thursday, 03.05.2018: Prof. Dr. Markus Reiher (ETH Zurich, Switzerland)
Interactive and Automated Exploration of Complex Reaction Mechanisms
17:15 h, Lecture Hall C2, Wilhelm-Klemm-Str. 6

14.02.-16.02.2018: Workshop/Konferenz

OPON 2018 - 5th International Workshop on the Optical Properties of Nanostructures    

(Lecture Hall HS2, Wilhelm-Klemm-Str. 10)

Earlier Events: compare archive