https://compchem.observer/topics/materials-modeling/ 2026-09-28T15:41:52Z CompChem Observer https://compchem.observer/events/iupac-psk50-international-conference-on-next-horizons-in-polymers-beyond-the-past-50-toward-the-next-100-2026/ 2026-09-28T00:00:00Z

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.

https://compchem.observer/events/fluctuations-in-charged-and-soft-matter-2026/ 2026-09-28T00:00:00Z

Workshop on fluctuations in charged and soft matter, covering transport at small scales, nonequilibrium dynamics, and computational methods including machine learning.

https://compchem.observer/events/ionic-conductors-from-modeling-to-experiment-2026/ 2026-09-28T00:00:00Z

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.

https://compchem.observer/events/all-russian-conference-chemical-structure-and-properties-of-materials-2026/ 2026-09-28T00:00:00Z

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.

https://compchem.observer/events/xxxvii-latin-american-congress-of-chemistry-claq-2026-31st-peruvian-congress-of-chemistry-2026/ 2026-09-28T00:00:00Z

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.

https://compchem.observer/events/the-13th-national-symposium-on-organic-solid-state-electronic-processes-and-chinese-symposium-on-organic-optoelectronic-functional-materials-2026/ 2026-09-28T00:00:00Z

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…

https://compchem.observer/events/250th-ecs-meeting-2026/ 2026-09-28T00:00:00Z

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.

https://compchem.observer/events/chinese-chemical-society-2026-academic-conference-on-theoretical-calculation-and-simulation-of-soft-matter-2026/ 2026-09-28T00:00:00Z

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.

https://compchem.observer/events/computer-modeling-and-structural-analysis-of-molecules-cmsam-2026-2026/ 2026-09-28T00:00:00Z

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.

https://compchem.observer/events/multiscale-simulation-of-materials-for-roads-infrastructures-2026/ 2026-09-28T00:00:00Z

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.

https://compchem.observer/events/operando-nano-interfaces-2026-2026/ 2026-09-28T00:00:00Z

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.

https://compchem.observer/events/japan-society-for-computer-chemistry-2026-autumn-meeting-2026/ 2026-09-28T00:00:00Z

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.

https://compchem.observer/events/new-frontiers-in-nonequilibrium-statistical-physics-of-glasses-2026/ 2026-09-28T00:00:00Z

CECAM flagship workshop on nonequilibrium statistical physics of glasses, focusing on vitrification, jamming, active matter, mode-coupling theory, and machine learning for kinetic arrest.

https://compchem.observer/events/40th-molecular-simulation-symposium-2026/ 2026-09-28T00:00:00Z

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.

https://compchem.observer/events/13th-virtual-winter-school-on-computational-chemistry-2027/ 2026-09-28T00:00:00Z

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.

https://compchem.observer/events/self-assembly-of-materials-merging-direct-experiments-with-simulations-at-different-resolutions-and-data-science-techniques-2027/ 2026-09-28T00:00:00Z

Workshop on self-assembly of materials, merging experiments with multi-scale simulations and data science techniques to bridge synthesis and modeling.

https://compchem.observer/events/fracture-of-amorphous-materials-across-the-scales-2027/ 2026-09-28T00:00:00Z

Multidisciplinary workshop on fracture of amorphous materials across scales, focusing on communication, collaborative modeling, and FAIR data sharing.

https://compchem.observer/events/251st-ecs-meeting-2027/ 2026-09-28T00:00:00Z

The 251st ECS Meeting is a premier international gathering focusing on electrochemistry, solid state science and technology, energy storage, materials, and sensors.

https://compchem.observer/events/uk-symposium-on-materials-for-sustainability-2026-2026/ 2026-09-27T00:00:00Z

UK Symposium on Materials for Sustainability 2026 will be held 14‑15 September 2026 at Keele University, UK. It invites researchers to share advances in computational materials science, first‑principles methods, 2D and energy materials for sustainable technologies.

https://compchem.observer/events/ccp5-agm42-university-of-huddersfield-2022/ 2026-09-25T00:00:00Z

CCP5 Annual General Meeting (AGM42) at the University of Huddersfield, 5–7 Sep 2022. A conference of the modelling community with invited and contributed talks and posters; new members and PhD students encouraged. Registration and abstract deadlines apply.

https://compchem.observer/events/defects-in-solids-for-quantum-technologies-2024-2024/ 2026-09-25T00:00:00Z

Conference on first-principles calculations of defect qubits, focusing on magneto-optical and spin properties for quantum technologies; theory and experiment met at ELTE in Budapest (10–14 June 2024).

https://compchem.observer/events/telluride-school-on-electrochemical-energy-storage-2024/ 2026-09-25T00:00:00Z

Week-long Telluride summer school (Jul 29–Aug 2, 2024) on electrochemical energy storage, covering experimental and theoretical methods for batteries, supercapacitors, interfaces, electrolytes and electrocatalysis; aims to train interdisciplinary researchers.

https://compchem.observer/events/agm-44-university-of-sheffield-2024/ 2026-09-25T00:00:00Z

CCP5 Annual General Meeting (AGM 44) in Sheffield, 4–6 Sep 2024. Meeting on molecular and materials modelling with invited speakers; applications open for talks and posters (deadline 21 Jun).

https://compchem.observer/events/ccp5-annual-general-meeting-agm45-2025/ 2026-09-25T00:00:00Z

CCP5 AGM45: a research showcase and networking meeting for the modelling community, encouraging early-career talks and posters. Held 8–10 Sep 2025 at the University of Liverpool. Organisers: Dr Aron Finney, Dr Dmytro Antypov, Dr Alin Elena.

https://compchem.observer/events/camml-chemistry-and-materials-machine-learning-school-2026-2026/ 2026-09-25T00:00:00Z

Five-day Chemistry and Materials Machine Learning School (13–17 Apr 2026) at Daresbury Laboratory, UK. CCP5-organised training for students and researchers on applying ML techniques to chemistry and materials modelling.

https://compchem.observer/events/quantum-classical-synergies-2026/ 2026-09-20T00:00:00Z

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.

https://compchem.observer/events/mlip-model-development-applications-2026/ 2026-09-20T00:00:00Z

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.

https://compchem.observer/events/gcc-cheminformatics-2026/ 2026-09-20T00:00:00Z

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.

https://compchem.observer/events/computational-electrochemistry-ai-2027/ 2026-09-20T00:00:00Z

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.

https://compchem.observer/events/total-energy-and-force-methods-2027/ 2026-09-20T00:00:00Z

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.

https://compchem.observer/events/automating-atomistic-machine-learning-2027/ 2026-09-20T00:00:00Z

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.