Conferences  >  Chemistry  >  Physical (Theoretical) Chemistry, Computational Chemistry

Join us in either Edinburgh or online in May 2024 for this edition of the Faraday Discussion series. The Faraday Discussions are unique international discussion meetings that address current and emerging topics at the forefront of the physical sciences. This meeting is for established and early-career scientists, postgraduate students and industrial researchers working on various aspects of molecular scattering.

On behalf of the organizing committee, we are delighted to welcome you to Caparica (Lisbon, Portugal), for the 6th International Caparica Conference on Chromogenic and Emissive Materials (6th IC3EM-2024). The Conference will take place in Costa de Caparica the 07th to 11th July 2024. We cordially encourage you to attend and contribute to one of the major events in 2024 on the Dyes and Fluorescence field.

Fluorescence and Absorption Spectroscopy, Microscopy Applications: From Optical to Electronical Cell and Tissue Imaging, Emissive Probes, Chemosensors and Labels Fluorescence in Biology/Medicine/Biochemistry, Fluorescence in High Throughput Screening Assays, Colour as analytical tool, Chromogenic Compounds for analysis, Emissive Liquids, Crystals and Polymers, Luminescent Peptides and Proteins, Single Molecule Spectroscopy

Atomic and Molecular Physics,    Photochemistry and Spectroscopy

Royal Society of Chemistry

Structure and dynamics in dense ionic fluids, Ionic fluids at equilibrium: thermodynamics, nanostructure, phase behaviour, activity, Ionic fluids out of equilibrium: electrodeposition, dissolution, electron transfer, driving forces, Interfaces and particles in dense ionic fluids: biological and colloidal systems spanning multiple lengthscales

Electrochemistry, Electrolysis and Corrosion,    Solid-state Chemistry, Materials Chemistry

Machine Learning methods have recently found widespread use in areas of atomistic modelling, mainly focusing on developing surrogate models for the potential energy surface with superior computational efficiency while retaining first principles accuracy. However, approaches to learning observable properties directly are just emerging and are challenged by several issues, which we intend to address in the workshop. The event is meant to support the development of a new collaborative, international network connecting different fields of research and integrating the young researchers community with the help of a scientifically diverse, interactive workshop.

ML of electron density and Hamiltonians, ML of electronic observables, ML of mechanical & magnetic observables, ML of spectroscopic observables, ML of reaction networks, Theoretical and experimental databases

Computational Physics and Numerical Simulation,    Condensed Matter Physics and Materials

Royal Society of Chemistry (RSC)

Join us for this edition of the Faraday Discussion series. The Faraday Discussions are unique international discussion meetings that address current and emerging topics at the forefront of the physical sciences. This meeting is for established and early-career scientists and postgraduate working in the area of electronic structure. It will provide an ideal forum to reflect on where the field is, and the grand challenges which remain to be tackled, in order to extend its applicability to wider communities. On behalf of the organising committee, we look forward to welcoming you to London, or if you are joining us virtually, online.

International Union of Pure and Applied Chemistry (IUPAC)

Since its inception in 1972, the ICPOC conferences have been the leading international gatherings on physical organic chemistry and its applications. Traditionally, physical organic chemistry relates molecular structure to chemical behavior, by means of the study of structure, reactivity, mechanism, and equilibrium in organic systems, aiming at the quantitative, molecular level understanding of their properties. While it is still the primary role of this core discipline, nowadays, physical organic chemistry has already evolved into a multidisciplinary field, extending into materials, energy, biology sciences and so on. This comprehensive and multidisciplinary approach plays a pivotal role in the development of chemical sciences, expanding their boundaries, and reflects on the vibrant and enlightening scientific discussions usually held in ICPOC meetings.

Schloss Dagstuhl - Leibniz-Zentrum für Informatik

Over the past few decades, machine learning (ML) has helped advance progress in a wide range of problems in computational biology and biochemistry, particularly towards understanding the structure and function of proteins. Similarly, in cheminformatics, ML is increasingly influencing pharmaceutical decision making and enabling novel drug design strategies. However, an area of great importance that requires further advances, likely involving significant innovations, is the understanding, prediction, and design of protein-protein and protein-ligand interactions. This Dagstuhl Seminar aims to connect the protein-ML and cheminformatics-ML communities and foster their communication with key experts in biology and chemistry. This seminar will allow us to discuss both theoretical and application-oriented ML topics in the context of protein-protein and protein-ligand interactions.

Molecular Biology,    Biochemistry and Medicinal Chemistry, Toxicology

Mathematisches Forschungsinstitut Oberwolfach (MFO, Oberwolfach Research Institute for Mathematics)