Liste aller Gastvortragenden:
https://www.uni-muenster.de/CMTC/veranstaltungen/events-speakers.html
https://www.uni-muenster.de/CMTC/veranstaltungen/events-speakers.html
Donnerstag, 23.01.2025:
Vortrag Leticia Gonzalez
... Details folgen ...
TBA.
Vortrag Johnny Proppe
... Details folgen ...
TBA:
Vortrag Christoph Bannwarth
... Details folgen ...
Dienstag, 29.10.2024:
CMTC Symposium
Details, Programm und Anmeldung hier: https://www.uni-muenster.de/CMTC/veranstaltungen/14thcmtc.html
siehe auch: https://www.uni-muenster.de/NWZ/eScience-at-NWZ/index.html
Dienstag, 14.11.2023, und Donnerstag, 16.11.2023: Prof. Dr. Olimpia Lombardi (CONICET - Universidad de Buenos Aires)
with ZfW (https://www.uni-muenster.de/Wissenschaftstheorie/zfwinenglish/index.html)
Vortrag am Dienstag: A modal ontology of properties for quantum mechanics. 16:00 Uhr, via Zoom: https://wwu.zoom-x.de/j/69637701822
Diskussion mit Olimpia Lombardi und Juan Camilo Martinez Gonzalez für Doktoranden und Postdocs am Donnerstag, 16 Uhr, via Zoom: https://wwu.zoom-x.de/j/69014977793
Mittwoch, 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 Uhr, R519 (AG Neugebauer Seminar-Raum), Organisch-Chemisches Institut (OCBC I), Corrensstraße 36 - 40.
Dienstag, 24.10.2023:
The 10th Anniversary Symposium of the Center for Multiscale Theory and Computation (CMTC) Münster
Details, Programm und Anmeldung hier: https://www.uni-muenster.de/CMTC/veranstaltungen/10acmtc.html
Montag, 28.06.2023: Prof. Dr. Neepa Maitra (Rutgers University)
Der Vortrag musste leider ausfallen.
Mittwoch, 07.06.2023: Prof. Dr. Clemence Corminboeuf (EPFL)
Der Vortrag musste leider ausfallen.
Donnerstag, 27.04.2023: Dr. David Schnieders (RWTH Aachen)
A Localized View on Periodic Electronic Structures Using LOBSTER. 10-12 Uhr, R519 (AG Neugebauer Seminar-Raum), Organisch-Chemisches Institut (OCBC I), Corrensstraße 36 - 40.
Donnerstag, 27.04.2023: Dr. Jan Unsleber (ETH Zürich)
Charting Chemical Reaction Space with First-Principles Methods. Abschlusssymposium IRTG2027, 16:50 Uhr (in Session 2 ab 16 Uhr), siehe https://www.uni-muenster.de/NWZ/eScience-at-NWZ/index.html
Quantum Fluctuations in Weakly Bound Materials
Hörsaal C2, 17:15-18:15 Uhr
https://www.uni-muenster.de/NWZ/eScience-at-NWZ/rse-express-2022.html
https://www.uni-muenster.de/NWZ/eScience-at-NWZ/symposium-ds-2022.html
Insight Into High Valent Iron Intermediates in (Biological) Catalysis from a Combination of Spectroscopy and Quantum Chemistry
Hörsaal C2, 17:15-18:15 Uhr
https://www.uni-muenster.de/NWZ/eScience-at-NWZ/rse-day-2022.html
https://www.uni-muenster.de/NWZ/eScience-at-NWZ/index.html
In silico pharmacology - a dynamic view on receptor-ligand interactions
via Zoom
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.
Low-cost quantum chemistry methods
via Zoom
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
"Wavefunction frozen-density embedding for 1D periodic systems"
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
From theoretical chemistry to economic practice
via Zoom
11.03.-13.03.2020: Workshop
Computing Free Energy: Few2020
Electronic Structure, Manybody Effects and Phonon-assisted Dynamics in Semiconductor Quantum Dots
10:15 h, Seminarraum 718, Wilhelm-Klemm-Str. 10
Mean-field Methods for Ground and Excited States with Multireference Character
11:00 h, Seminarraum 4.23, Corrensstr. 40
On-situ control of quantum states by carrier capture in 2D materials
15:15 h, Seminarraum 87, Wilhelm Klemm-Str. 10
AI and Machine Learning for Synthesis Planning and Molecular Design
17:15 h, Hörsaal C2, Wilhelm-Klemm-Str. 6
Local Correlation Methods for the Study of Transition Metal Complexes
10:00 h, Seminarraum 4.23, Corrensstr. 40
14.30h - 18.00h., Hörsaal A1, Wilhelm-Klemm-Str. 6
14:30 |
Prof. Dr. Carmen Hermann (Universität Hamburg, Deutschland) Towards a first-principles description of chiral induced spin selectivity |
15:05 |
Prof. Dr. Claudia Filippi (Universiteit Twente, Niederlande) A rigorous framework to model photo-excitations in quantum Monte Carlo |
15:40 |
Johannes Tölle (WWU Münster, Deutschland) Exact subsystem time-dependent density-functional theory |
16:00 | Pause |
16:30 |
Prof. Dr. Christoph Jacob (TU Braunschweig, Deutschland) Uncertainty Quantification in Theoretical Spectroscopy |
17:05 |
Prof. Dr. Markus Reiher (ETH Zürich, Schweiz) Uncertainty quantification in quantum chemical calculations |
17:40 |
David Schnieders (WWU Münster, Deutschland) Reaction-Specific Molecular Descriptors: The Metal-Hydride Vibration |
Quantitative analysis of catalytic transformations - examples from C-H activation and phosphine-based catalysis
13:00 h, Hörsaal C2, Wilhelm-Klemm-Str. 6
Multiscale modelling of stimuli-responsive Nanoreactors
11:15 h, Seminarraum W428, Corrensstr. 28/30
Chiral light-matter interaction in dielectric photonic topological insulators
10:15 h, Seminarraum 718, Wilhelm-Klemm-Str. 10
Predictive Multiscale Modelling in Materials Sciences: Chemisorption of Glycine on Cu(110)
14:30 h, Hörsaal C2, Wilhelm-Klemm-Str. 6
Optoelectronic properties of nanostructured devices
14:00 h, Seminarraum 718, Wilhelm-Klemm-Str. 10
PD Dr. Ralf Tonner (Philipps-Universit ät Marburg, Deutschland)
Organic chemistry at surfaces - from numbers to insight
17:15 h, Hörsaal C2, Wilhelm-Klemm-Str. 6
Interactive and Automated Exploration of Complex Reaction Mechanisms
17:15 h, Hörsaal C2, Wilhelm-Klemm-Str. 6
14.02.-16.02.2018: Workshop/Konferenz
OPON 2018 - 5th International Workshop on the Optical Properties of Nanostructures
(Hörsaal HS2, Wilhelm-Klemm-Str. 10)
Frühere Veranstaltungen: siehe Archiv