Upcoming Events at CMTC


Tuesday, 24.10.2023:

The 10th Anniversary Symposium of the Center for Multiscale Theory and Computation (CMTC) Münster

Details, program and registration: https://www.uni-muenster.de/CMTC/veranstaltungen/10acmtc.html


Wednesday, 18.10.2023: Dr. Dennis Barton (Frauenhofer IST)

Plasma and gaseous flux simulations in thin layer coating processes - Application of the PICMC code

9:15-10 AM, R519 (AG Neugebauer Seminar-Raum), Organisch-Chemisches Institut (OCBC I), Corrensstraße 36 - 40.


Tuesday, 14.11.2023, und Thursday, 16.11.2023: Prof. Dr. Olimpia Lombardi (CONICET - Universidad de Buenos Aires)

with ZfW (https://www.uni-muenster.de/Wissenschaftstheorie/zfwinenglish/index.html)

Talk on Tuesday: A modal ontology of properties for quantum mechanics. 4 PM, via Zoom: https://wwu.zoom-x.de/j/69637701822

Discussion with Olimpia Lombardi and Juan Camilo Martinez Gonzalez for Phds and postdocs on Thursday, 4 PM, via Zoom: https://wwu.zoom-x.de/j/69014977793


see also: https://www.uni-muenster.de/NWZ/eScience-at-NWZ/index.html


Past Events at CMTC

Monday, 28.06.2023: Prof. Dr. Neepa Maitra (Rutgers University)

This talk was cancelled.

Wednesday, 07.06.2023: Prof. Dr. Clemence Corminboeuf (EPFL)

This talk was cancelled.

Thursday, 27.04.2023: Dr. David Schnieders (RWTH Aachen)

A Localized View on Periodic Electronic Structures Using LOBSTER. 10-12 AM, R519 (AG Neugebauer seminar room, Organisch-Chemisches Institut (OCBC I), Corrensstraße 36 - 40.

Thursday, 27.04.2023: Dr. Jan Unsleber (ETH Zürich)

Charting Chemical Reaction Space with First-Principles Methods. IRTG2027 symposium, 4:50 PM (part of session 2, starting 4 PM), see https://www.uni-muenster.de/NWZ/eScience-at-NWZ/index.html

Thursday, 26.01.2023: Prof. Dr. Mariana Rossi (MPI for the Structure and Dynamics of Matter) IRTG Münster-Nagoya

Quantum Fluctuations in Weakly Bound Materials
Lecture hall C2, 17:15-18:15 Uhr

22. November 2022: RSE Express (with IVV NWZ and WWU-IT)


2. November 2022: CMTC Young Researchers Symposium


29. September 2022: Mini-Symposium Data Science Techologies (with IVV NWZ)


Thursday, 09.6.2022: Prof. Dr. Frank Neese (MPI f. Kohlenforschung)

Insight Into High Valent Iron Intermediates in (Biological) Catalysis from a Combination of Spectroscopy and Quantum Chemistry
Lecture hall C2, 5:15-6:15 pm

23. March 2022: Research Software Engineering (RSE) day (with IVV NWZ)


15.-17. March 2022: NFDI4Chem Research Data Management workshop (with IVV NWZ)


Thursday, 17.1.2022: Prof. Dr. Marcel Bermudez (WWU Münster)

In silico pharmacology - a dynamic view on receptor-ligand interactions
via Zoom

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, 22.05.2019:Dr. 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



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

Towards a first-principles description of chiral induced spin selectivity


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

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


Johannes Tölle (WWU Münster, Germany)

 Exact subsystem time-dependent density-functional theory

16:00 break

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

Uncertainty Quantification in Theoretical Spectroscopy


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

Uncertainty quantification in quantum chemical calculations


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