Materials modelling
24 upcoming events
IUPAC-PSK50 International Conference on Next Horizons in Polymers: Beyond the past 50, toward the next 100
Commemorating the 50th anniversary of the Polymer Society of Korea, this international conference gathers researchers to share innovations in polymer science, engineering, advanced characterization, and AI-assisted polymer design.
Synergies between quantum and classical computing for quantum chemistry and materials science
Three days on where quantum processors can usefully complement established electronic-structure methods, covering embedding of strongly correlated fragments, sampling schemes, and the limits imposed by present-day hardware.
Machine Learning Interatomic Potentials: Bridging Model Development and Interdisciplinary Applications
A CECAM workshop in Taiwan that puts the people who build machine-learned interatomic potentials in the same room as the people who apply them, covering descriptors, message-passing models, transferability and cost.
Fluctuations in charged and soft matter
Workshop on fluctuations in charged and soft matter, covering transport at small scales, nonequilibrium dynamics, and computational methods including machine learning.
Ionic Conductors: From Modeling to Experiment
Second school-conference of young scientists with international participation on ionic conductors, covering energy storage, new materials, electrode-electrolyte interfaces, and theoretical modeling of ionic conductivity in solids.
All-Russian Conference 'Chemical Structure and Properties of Materials'
All-Russian conference dedicated to the 100th anniversary of Yu.T. Struchkov. Topics include new methods for studying substance structure, structure-property correlations, non-covalent interactions in functional materials design, and AI in chemistry and materials science.
XXXVII Latin American Congress of Chemistry (CLAQ 2026) / 31st Peruvian Congress of Chemistry
The XXXVII Latin American Congress of Chemistry (CLAQ 2026) focuses on green chemistry, advanced functional materials, AI in chemistry, and environmental remediation for sustainable development.
The 13th National Symposium on Organic Solid State Electronic Processes and Chinese Symposium on Organic Optoelectronic Functional Materials
The 13th National Symposium on Organic Solid State Electronic Processes and Chinese Symposium on Organic Optoelectronic Functional Materials, organized by the Chinese Chemical Society, will be held in Tianjin, China, from October 22 to 25, 2026. It covers organic electronic and…
250th ECS Meeting
The 250th ECS Meeting, a historic milestone gathering in Calgary, Canada, uniting researchers and leaders to exchange ideas in electrochemical and solid state science, clean energy, and sustainable technology.
Chinese Chemical Society 2026 Academic Conference on Theoretical Calculation and Simulation of Soft Matter
Aiming to highlight the role of theoretical simulation and AI in polymer and soft matter science, this conference integrates theory with experiment and industry. It gathers experts in chemistry, physics, and math to discuss frontier progress and challenges in soft matter.
19th German Conference on Cheminformatics (GCC 2026)
The nineteenth edition of the German cheminformatics meeting, with plenary and contributed lectures, research telegrams for PhD students and posters. Attendance is capped at 140 people.
Computer Modeling and Structural Analysis of Molecules (CMSAM-2026)
The CMSAM-2026 conference focuses on computer modeling and structural analysis of molecules. It will take place in Moscow from November 9 to 11, 2026, with a submission deadline of October 9, 2026.
Multiscale Simulation of Materials for Roads Infrastructures
This CECAM workshop focuses on multiscale modeling and simulation of road and building materials, bridging molecular dynamics, coarse-grained models, and continuum mechanics to predict performance and aging of complex composites.
Operando Nano Interfaces 2026
Triennial international conference on operando and in situ characterization of dynamic functional interfaces, focusing on catalysis, electrochemistry, batteries, and energy materials through experiment, theory, and materials design.
Japan Society for Computer Chemistry 2026 Autumn Meeting
The 2026 Autumn Meeting of the Japan Society for Computer Chemistry, co-hosted by the Japan Society for Molecular Science, will take place in Numazu, Shizuoka, from November 27 to 28, 2026. It is a key event for sharing research in computational chemistry.
New Frontiers in Nonequilibrium Statistical Physics of Glasses
CECAM flagship workshop on nonequilibrium statistical physics of glasses, focusing on vitrification, jamming, active matter, mode-coupling theory, and machine learning for kinetic arrest.
40th Molecular Simulation Symposium
The 40th Molecular Simulation Symposium, organized by the Society for Molecular Simulation, will take place December 7-9, 2026, at Kyushu University Medical School Centennial Hall. It is co-organized with the Japan Society for Molecular Science.
Computational electrochemistry in the era of AI
Four days on simulating electrochemical interfaces for batteries, fuel cells and electrolysers, and on what machine-learned potentials and AI-driven workflows change about how those interfaces are modelled.
International Workshop on Computational Physics and Materials Science: Total Energy and Force Methods
The long-running Total Energy and Force Methods meeting, held at ICTP in Trieste in odd years since 1987. Three days on first-principles methods for the electronic structure of molecules and materials.
13th Virtual Winter School on Computational Chemistry
The 13th Virtual Winter School on Computational Chemistry is a fully online event featuring teaching-focused lectures, workshops, and discussions across computational and theoretical chemistry.
Automating atomistic machine learning
Machine-learned interatomic potentials still lean on hand-tuning and personal experience. This workshop looks at the automated workflows, provenance and reproducible benchmarking needed to make them a routine tool.
Self-assembly of materials: merging direct experiments with simulations at different resolutions and data science techniques
Workshop on self-assembly of materials, merging experiments with multi-scale simulations and data science techniques to bridge synthesis and modeling.
Fracture of Amorphous Materials Across the Scales
Multidisciplinary workshop on fracture of amorphous materials across scales, focusing on communication, collaborative modeling, and FAIR data sharing.
251st ECS Meeting
The 251st ECS Meeting is a premier international gathering focusing on electrochemistry, solid state science and technology, energy storage, materials, and sensors.