Konferenzen  >  Chemie  >  Physikalische (theoretische) Chemie, Chemoinformatik

EMBL Heidelberg

This practical course teaches the basics of multicellular modelling to any researcher wishing to enter the field, particularly experimentalists with no prior experience of computational modelling. It is a “hands-on” course with 60% of the time devoted to students working on laptops performing exercises designed to give a practical familiarity with different types of computational modelling. The course focuses on the dynamics of multicellular systems- from embryos to organoids, covering both the molecular side (how gene regulatory networks perform pattern formation) and also the mechanical side in 2D and 3D (how the movements and activities of many cells together leads to tissue-level morphogenesis and organisation). A carefully-chosen variety of modelling tools will be introduced, which cover the core approaches of vertex models, finite element models (FEM), and agent-based models (ABM). Attendees will also work through the week in small groups on group projects, which will be presented on the last day to the whole class. Each day will end with a keynote lecture by a prominent researcher in the field, putting the topic of the day into context through an example of relevant biological research.

Julia Patricia Nohle;     Email: julia.nohle@embl.de

Wroclaw University of Science and Technology, DEpartment of Chemistry, Institute of Advanced Materials

The MDMM conference is a biennial event that has been organized for the past 20 years, and it is one of the major scientific meetings in Central and Eastern Europe. MDMM2025 is the tenth meeting in the MDMM series. The conference focuses on the theoretical modeling and design of novel molecular materials with applications in biotechnology (biocatalysts), pharmacy (drugs), material engineering, and nanotechnology (sensors). Participation of experimentalists interested in application of molecular modeling techniques is encouraged. As new modeling methods have always been a key part of the event, this year we are planning a special session on the applications of machine learning and artificial intelligence in chemistry, biotechnology, and material sciences.

Tel.: [+48-698-256-422];     Email: MDMM@pwr.edu.pl

applications of machine learning, advances in computational methods, modeling chemical reactions and catalysts, modeling biomolecules, modeling electronic structure, modeling molecular materials

MPI for Chemical Energy Conversion & MPI für Kohlenforschung

The summer school will combine a series of lectures with practical computational sessions and laboratory visits. The lectures will address a broad range of topics related to spectroscopy and computational chemistry. The practical sessions will be focused both on fundamental pen-and-paper problems and on the use of computational tools for spectroscopic simulations and for quantum chemical calculations. Significant emphasis will be placed on the use of the ORCA package for quantum chemical calculations of spectroscopic properties.

Summer School Team;     Email: info@cec.mpg.de

Spectroscopy, Transition Metal Complexes, Computational Chemistry, ORCA, Group Theory, Ligand Field Theory, Optical Spectroscopy, X-ray Spectroscopy, Vibrational Spectroscopy, Spin Hamiltonians, Magnetochemistry, EPR Spectroscopy, MCD Spectroscopy, Mössbauer Spectroscopy

Kurse und Veranstaltungen für Chemiestudenten,    Massenspektrometrie, Chromatographie und Kernspinresonanzspektroskopie

The study of photochemical reactions in general and photoelectrochemical water splitting in particular, rests on understanding of such elementary effects as light absorption, energy transfer, electron transfer, radiative and nonradiative relaxation, and catalysis is important for the rational design of efficient systems for energy conversion. The design of most efficient catalysts is pursued by change of composition, quantum confinement, size, shape, surface functionalization, magnetic doping, and mesoscale structural arrangement providing versatile tuning of timescales of available basic mechanisms and properties of materials. This symposium presents recent experimental, computational, and machine learning synergistic advances on modeling of photophysics and photochemistry at interfaces: Experimental achievements in fabrication of efficient photocatalytic interfaces and monitoring of efficiency, quantum yield, and kinetics of reactant evolution and electronic dynamics by ultrafast spectroscopy techniques stimulate further development of more precise theoretical methods. Computational modeling allows for interpretation of available experimental trends and help in guiding further advances in design of efficient photocatalytic materials.

Cheminformatics and machine learning advances help to establish a feedback loop between computation and experiment and narrow down the number of structures with high potential for record efficiency. It is expected that the symposium will bring better understanding of photoinduced processes of light absorption, formation and breaking of charge transfer excitations, hot carrier relaxation, multiple exciton processes, coupled light-to-matter states, and redox reaction dynamics at catalytic sites, affected by lattice vibrations and solvent polarization.

Email: https://pacifichem2025.abstractcentral.com/submission

photophysics, photochemistry, interfaces, neural networks, machine learning, fabrication, photocatalytic interfaces, quantum yield, product evolution kinetics, electronic dynamics, ultrafast spectroscopy, photoinduced processes, light absorption, charge transfer excitations, hot carrier relaxation, multiple exciton generation, coupled light-to-matter states, redox reaction dynamics, catalytic sites, open quantum system, ab initio, color centers

Erneuerbare Energien und Wäremekraftwerke,    Photochemie und Spektroskopie