Tagungen und Workshops zum Thema Physikalische (theoretische) Chemie, Chemoinformatik

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ALLE LÄNDER (24)
1
Faraday Discussion — From optical to THz control of materials
23. Mai 2022 - 25. Mai 2022 • London, Großbritannien
Veranstalter:
Royal Society of Chemistry
Zusammenfassung:
This meeting is for established scientists, post-graduate students and industrial researchers interested in ultrafast control of the physical properties of materials by light excitation and/or THz excitation. Given the rapid development of experimental techniques, including XFEL science, THz science and various pump–probe techniques, and developments in the theory of ultrafast, out-of-equilibrium and multiscale processes driven by light or THz excitation, this meeting will provide a roadmap of where the field is and what the challenges are over the next 5–10 years and beyond.
Eintrags-ID:
1470334
Verwandte Fachgebiete:
2
MUST2022 — International Conference on Molecular Ultrafast Science and Technology
07. Jun 2022 - 10. Jun 2022 • Grindelwald, Schweiz
Veranstalter:
NCCR MUST - Swiss National Centre of Competence in Research - Molecular Ultrafast Science and Technology
Zusammenfassung:
The MUST2022 conference will cover Ultrafast Spectroscopy and Imaging - in Solid State and Surface Physics - in Molecular Dynamics - from Terahertz to X-ray; Attosecond Science; Theory of Ultrafast Processes; Femtochemistry; Femtobiology and Biophotonics. MUST2022 will take place in the Sunstar Hotel and Congress Hall, Grindelwald, in the Bernese Alps in Switzerland at the foot of the Jungfrau mountain massive.
Kontakt:
NCCR MUST Office;     Email: info@nccr-must.ch
Themen:
Ultrafast Spectroscopy and Imaging, Solid State and Surface Physics, Molecular Dynamics, Terahertz to X-ray, Attosecond Science, Theory of Ultrafast Processes, Femtochemistry, Femtobiology, Biophotonics
Eintrags-ID:
1459215
Verwandte Fachgebiete:
3
ICCS2022 — 12th International Conference on Chemical Structures
12. Jun 2022 - 16. Jun 2022 • Noordwijkerhout, Niederlande
Veranstalter:
Stichting Chemische Congressen 6, The Netherlands
Zusammenfassung:
The 12th International Conference on Chemical Structures (ICCS) will take place in 2022. It will continue a well-established conference series that begun in 1973 as a workshop on Computer Representation and Manipulation of Chemical Information sponsored by the NATO Advanced Study Institute and thereafter was held under its new name every third year starting in 1987. The 2022 conference will build on the experience of the past successful editions to offer a strong scientific program which covers all aspects of cheminformatics and molecular modeling, including for example structure-activity relationships, virtual screening, modeling metabolite networks, etc. Participants discuss research as well as relevant technological and algorithm developments in handling and visualization of chemical structure data, workflows for complex cheminformatic analysis and machine learning. The conference fosters cooperation among organizations and researchers involved in the increasingly interwoven fields of cheminformatics and bioinformatics and combines in-depth technical presentations with ample opportunities for one-on-one discussions with the presenters.
Kontakt:
Event Secretariat;     Email: ICCS2022@fu-confirm.de
Themen:
Cheminformatics, Molecular similarity and diversity, Mining of chemical literature and patents, spectroscopy and structure elucidation, Reaction handling, Structure-Activity and Structure-Property Prediction, Consensus and federated methods, Assessment of uncertainties in predictive modeling Graphical methods for SAR analysis, Multi- and Many-objective optimization, Structure-Based Drug Design Advances in molecular dynamics and free energy calculation, Structure-based and rational drug design Modeling of protein-ligand and protein-protein recognition, Computer-assisted protein design/engineering Artificial Intelligence Approaches, Deep learning and sparse-data modelling, de novo generation Representation learning, Synthetic accessibility and retrosynthesis approaches, Analysis of Large Chemistry Spaces, Design, profiling, and comparison of compound collections, DNA Encoded Libraries (DEL) Advances in (low-, mid- and high-level) data fusion techniques, Findable, Accessible, Interoperable, and Reusable (FAIR) data, Dealing with Biological Complexity, Analysis and prediction of poly-pharmacology and selectivity, Advances in metabolomics, Nanoinformatics modelling, Natural product drug discovery
Einsendeschluss für Abstracts:
28. Feb 2022
Eintrags-ID:
1469322
Verwandte Fachgebiete:
4
IMAMPC — 11th International Meeting on Atomic and Moleular Physics and Chemistry
13. Jun 2022 - 17. Jun 2022 • Prag, Tschechische Republik
Veranstalter:
J. Heyrovský Institute of Physical Chemistry of the Czech Academy of Sciences
Zusammenfassung:
The meeting gathers together researchers from both theory and experiment in the wide area of atomic and molecular physics and chemistry enabling novel directions in research and collaborations. The main focus of the meeting is to promote young researchers and interdisciplinarity.
Themen:
Quantum Gases, Isolated Molecules, Biomolecules, Clusters, Nanostructures, Laser-Matter Interactions
Eintrags-ID:
1425097
5
Lake Como School — 1st School of Supramolecular Chemistry and Self-Assembled Materials (SUPER-POLI).
13. Jun 2022 - 17. Jun 2022 • Como, Italien
Veranstalter:
Lake Como School of Advanced Studies
Eintrags-ID:
1459588
6
Faraday Discussion — Unimolecular reactions
22. Jun 2022 - 24. Jun 2022 • Oxford, Großbritannien
Veranstalter:
The Royal Society of Chemistry
Zusammenfassung:
The original Lindemann mechanism of unimolecular reactions was proposed at a Faraday Discussion, published in 1922, during an exchange between Lindemann and other leading figures of reaction rate theory (Arrhenius, Langmuir, Perrin) and it is therefore fitting that the current state of the field should be examined a century later in 2022. This meeting is for established and early-career scientists, post-graduate students and industrial researchers interested in kinetics and dynamics, both experimental and theoretical, working on gas- and liquid-phase unimolecular reactions. Oral and poster presentation opportunities are available to all these groups, and we invite you to submit an oral or poster abstract to make your contribution alongside leaders in the field. Join us to discuss the topic of unimolecular reactions and follow in the scientific footsteps of Lindemann!
Themen:
In this Discussion we will examine the current state of unimolecular reaction experiment and theory, with an emphasis on application to contemporary challenges, such as atmospheric pollution, the search for alternative fuels and the better understanding of industrial processes.
Eintrags-ID:
1446165
7
MolSim2022 — Molecular Simulation 2022: Present, Past and Future
25. Jun 2022 - 29. Jun 2022 • Erice, Italien
Zusammenfassung:
This meeting will bring together old and new friends to discuss the state of the art, methods and current challenges in computer simulations, as well as reflect on the past, present and future of the field. The meeting will enable scientists from different generations to meet in an atmosphere that combines excellence and open discussions and will pave the way for new scientific advances and collaborations.
Einsendeschluss für Abstracts:
01. Mär 2022
Eintrags-ID:
1471838
Verwandte Fachgebiete:
8
WATOC 2020 — 12th Triennial Congress of the World Association of Theoretical and Computational Chemists
03. Jul 2022 - 08. Jul 2022 • Vancouver, Kanada
Veranstalter:
Chemical Institute of Canada
Einsendeschluss für Abstracts:
01. Mär 2022
Eintrags-ID:
1441952
9
BIRS Workshop — Mathematical challenges in computational chemistry: multiscale, multiconfigurational approaches, machine learning
08. Jul 2022 - 10. Jul 2022 • Banff, Alberta, Kanada
Veranstalter:
Banff International Research Station (BIRS) for Mathematical Innovation and Discovery
Eintrags-ID:
1439376
10
Gordon Research Seminar — Molecular Interactions and Dynamics
09. Jul 2022 - 10. Jul 2022 • Stonehill College, Easton, Vereinigte Staaten
11
Gordon Research Conference — Molecular Interactions and Dynamics
10. Jul 2022 - 15. Jul 2022 • Stonehill College, Easton, Vereinigte Staaten
12
Gordon Research Seminar — Computational Chemistry
16. Jul 2022 - 17. Jul 2022 • Castelldefels, Spanien
13
Gordon Research Seminar — Oscillations and Dynamic Instabilities in Chemical Systems
16. Jul 2022 - 17. Jul 2022 • Stonehill College, Easton, Vereinigte Staaten
14
Gordon Research Conference — Computational Chemistry
17. Jul 2022 - 22. Jul 2022 • Castelldefels, Spanien
15
Gordon Research Conference — Oscillations and Dynamic Instabilities in Chemical Systems
17. Jul 2022 - 22. Jul 2022 • Stonehill College, Easton, Vereinigte Staaten
16
ICNI — 2nd International Conference on Noncovalent Interactions
18. Jul 2022 - 22. Jul 2022 • University of Strasbourg, Strasbourg, Frankreich
Zusammenfassung:
Noncovalent interactions are ubiquitous in Nature and contribute to the cohesion of chemical systems. If their existence was long suspected they were firstly taken into consideration by van der Waals in 1873, helping to revise the equation of state for real gases. In comparison to covalent bonds, intra- and intermolecular noncovalent interactions are in general locally weak and exhibit much lower energy and directionality, as reflected by the term “noncovalent”. Nevertheless, in many cases these interactions can collectively play a dominant role in synthesis, catalysis and design of materials. In the first half of the 20th century, these properties have already fueled passionate debates on their origin and nature particularly with the emergence of quantum chemistry with the works of Schrödinger and London. Thus, the chemistry of this century is expected to be largely driven by noncovalent interactions and it was timely to establish a general/regular series of International Conferences on Noncovalent Interactions (ICNI), the first one of which was inaugurated on 2-6 September 2019 in Lisbon.
Themen:
physical chemistry, Noncovalent Interactions
Einsendeschluss für Abstracts:
31. Mai 2022
Eintrags-ID:
1442059
17
Gordon Research Conference — Stereochemistry
24. Jul 2022 - 29. Jul 2022 • Salve Regina University, Newport, Vereinigte Staaten
18
Gordon Research Conference — Molecular Structure Elucidation
31. Jul 2022 - 05. Aug 2022 • Newry, Vereinigte Staaten
19
7th International Conference on Vibrational Optical Activity
07. Aug 2022 - 11. Aug 2022 • Edmonton, Kanada
Zusammenfassung:
Chiral, enantiopure compounds play an increasingly important role in modern society, as many pharmaceutical compounds, e.g. active compounds, mimics and biologics, are chiral. In modern regulatory work, the absolute configuration of such compounds must be accessed, as must the stability and structural integrity of biologics and generics of these. Therefore, techniques suitable for accurate absolute configuration assignment and detailed structural analysis are in high demand in research and industry. The VOA conference series aims to present the cutting edge in research and development in the field of vibrational optical activity (VCD and ROA) and beyond, highlighting developments in chiroptical spectroscopy, experimentally as well as theoretically, bringing together the leading scientists in the field for stimulating presentations and discussions of the newest trends and applications of this diverse group of techniques.
Eintrags-ID:
1444515
Verwandte Fachgebiete:
20
ICESS 2022 — 15th International Conference on Electronic spectroscopy and structure
22. Aug 2022 - 26. Aug 2022 • Oulu, Finnland
Eintrags-ID:
1444578
Verwandte Fachgebiete:
21
GK2022 Rennes — 26th International Symposium on Gas Kinetics and Related Phenomena
29. Aug 2022 - 01. Sep 2022 • Rennes, Frankreich
Veranstalter:
Royal Society of Chemistry
Zusammenfassung:
The Symposium is organised under the auspices of the Gas Kinetics Group of the Royal Society of Chemistry. The Symposium has a long history, dating back to 1967. It has been held every two years, with host cities generally alternating between continental Europe and the English-speaking world, mainly the UK. The Royal Society of Chemistry’s prestigious Polanyi medal is traditionally presented at this Symposium. As the Symposium was cancelled in 2020 (it was due to be held at KIT in Karlsruhe, Germany), both the 2020 and the 2022 Polanyi medals will be awarded at the 2022 Symposium.
Eintrags-ID:
1470658
22
PRAHA2022 — 26th International Conference on High Resolution Molecular Spectroscopy
29. Aug 2022 - 02. Sep 2022 • Prag, Tschechische Republik
Eintrags-ID:
1444565
Verwandte Fachgebiete:
23
Training — Physical Organic Chemistry Concepts for Process Development
14. Sep 2022 - 16. Sep 2022 • Online Platform, Überall (Virtuelle Veranstaltung)
Veranstalter:
Scientific Update Ltd.
Eintrags-ID:
1472551
24
Faraday Discussion — Iontronics: from fundamentals to ion-controlled devices
21. Jun 2023 - 23. Jun 2023 • Edinburgh – hyrid, Großbritannien
Veranstalter:
Royal Society of Chemistry
Zusammenfassung:
Studying interaction of solvated ions with interfaces and their transport inside ionic devices has been a recurrently hot topic for research at the interface of physics, chemistry, and processing technologies. Iontronics, in a general use of this term, concern systems in which dissolved ions such as Na+, Cl-, and Ca2+ get transported. The driving force in iontronics is not necessarily electric or diffusive, but sometimes also convective due to fluid flows. The coupling between charge and fluid transport has found a wide range of applications, from signal transduction to energy generation or storage. The breadth and diversity of iontronic concepts, however, has been studied in parallel scientific tracks. To create opportunities for cross-fertilization between these tracks, this Faraday Discussion will be an opportunity to present the most recent experimental, theoretical, and numerical methods in the field, to review some of the existing challenges, both in fundamental research (e.g. understanding nanoscale ion transport) and in industrial applications (e.g. membrane technology, energy storage, imaging at the nanoscale), and to strengthen synergetic interactions between researchers addressing the microscopic and device-level mechanisms involved in these very pressing problems.
Eintrags-ID:
1470719


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Stand vom 18. Februar 2022