CompChem Observer — newly added machine learning for chemistry eventshttps://compchem.observer/topics/ml-chemistry/2026-09-28T15:41:52ZCompChem ObserverIUPAC-PSK50 International Conference on Next Horizons in Polymers: Beyond the past 50, toward the next 100https://compchem.observer/events/iupac-psk50-international-conference-on-next-horizons-in-polymers-beyond-the-past-50-toward-the-next-100-2026/2026-09-28T00:00:00ZCommemorating 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.Summer School on Chemometrics and Machine Learning with Python, 5th editionhttps://compchem.observer/events/summer-school-on-chemometrics-and-machine-learning-with-python-5th-edition-2026/2026-09-28T00:00:00ZA hands-on summer school on chemometrics and machine learning using Python, covering PCA, clustering, classification, and regression. It aims to provide practical skills for building and evaluating chemometric models, with a maximum of 15 participants.Fluctuations in charged and soft matterhttps://compchem.observer/events/fluctuations-in-charged-and-soft-matter-2026/2026-09-28T00:00:00ZWorkshop on fluctuations in charged and soft matter, covering transport at small scales, nonequilibrium dynamics, and computational methods including machine learning.All-Russian Conference 'Chemical Structure and Properties of Materials'https://compchem.observer/events/all-russian-conference-chemical-structure-and-properties-of-materials-2026/2026-09-28T00:00:00ZAll-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 Chemistryhttps://compchem.observer/events/xxxvii-latin-american-congress-of-chemistry-claq-2026-31st-peruvian-congress-of-chemistry-2026/2026-09-28T00:00:00ZThe XXXVII Latin American Congress of Chemistry (CLAQ 2026) focuses on green chemistry, advanced functional materials, AI in chemistry, and environmental remediation for sustainable development.Chinese Chemical Society 2026 Academic Conference on Theoretical Calculation and Simulation of Soft Matterhttps://compchem.observer/events/chinese-chemical-society-2026-academic-conference-on-theoretical-calculation-and-simulation-of-soft-matter-2026/2026-09-28T00:00:00ZAiming 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.2nd Women in Chemical Sciences Conference (WICSIC 2026)https://compchem.observer/events/2nd-women-in-chemical-sciences-conference-wicsic-2026-2026/2026-09-28T00:00:00ZThe conference focuses on transforming chemical sciences with AI, showcasing research and innovations in education and practice, while promoting women's leadership in STEM.VIII All-Russian Conference on Structure and Energetics of Moleculeshttps://compchem.observer/events/viii-all-russian-conference-on-structure-and-energetics-of-molecules-2026/2026-09-28T00:00:00ZThe VIII All-Russian Conference on Structure and Energetics of Molecules covers fundamental and applied topics on molecular structure, thermochemistry, molecular dynamics, theoretical spectroscopy, and AI/machine learning in chemistry. Held in Ivanovo, Russia.Japan Society for Computer Chemistry 2026 Autumn Meetinghttps://compchem.observer/events/japan-society-for-computer-chemistry-2026-autumn-meeting-2026/2026-09-28T00:00:00ZThe 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.CECAM Flagship Workshop: Theory and simulation of biomolecular phase separation and aggregationhttps://compchem.observer/events/cecam-flagship-workshop-theory-and-simulation-of-biomolecular-phase-separation-and-aggregation-2027/2026-09-28T00:00:00ZWorkshop on theory and simulation of biomolecular phase separation and aggregation, covering theoretical methods, coarse-grained simulations, and machine learning approaches to understand condensates and their role in disease.Machine Learning Assisted Molecular (Thermo)Dynamicshttps://compchem.observer/events/machine-learning-assisted-molecular-thermo-dynamics-2027/2026-09-28T00:00:00ZCECAM Flagship workshop on machine learning for molecular simulations, discussing ML interatomic potentials, coarse-grained models, generative models, and challenges in transferability, reliability, and scalability.Self-assembly of materials: merging direct experiments with simulations at different resolutions and data science techniqueshttps://compchem.observer/events/self-assembly-of-materials-merging-direct-experiments-with-simulations-at-different-resolutions-and-data-science-techniques-2027/2026-09-28T00:00:00ZWorkshop 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 Scaleshttps://compchem.observer/events/fracture-of-amorphous-materials-across-the-scales-2027/2026-09-28T00:00:00ZMultidisciplinary workshop on fracture of amorphous materials across scales, focusing on communication, collaborative modeling, and FAIR data sharing.FHI-aims Webinar: Automated Data Generation for Machine Learning Force Fields with aims-PAX and FHI-aimshttps://compchem.observer/events/fhi-aims-webinar-automated-data-generation-for-machine-learning-force-fields-with-aims-pax-and-fhi-aims-2026/2026-09-27T00:00:00ZA free FHI-aims webinar on Oct 7‑8 2026 about automated data generation for ML force fields using aims‑PAX and FHI‑aims, featuring a keynote by Tobias Henkes and a hands‑on session.MOPAC User Grouphttps://compchem.observer/events/mopac-user-group-2023/2026-09-25T00:00:00ZVirtual MolSSI User Group on MOPAC (June 7, 2023) with Dr. James Stewart and others presenting on MOPAC development, methods (including excited states and SQM), HPC acceleration, software integration, education, and discussion sessions.CECAM Flagship Workshop: Machine Learning of First Principles Observableshttps://compchem.observer/events/cecam-flagship-workshop-machine-learning-of-first-principles-observables-2024/2026-09-25T00:00:00ZCECAM flagship workshop on machine learning methods for predicting first-principles (ab initio) observables. Held at the CECAM node, Zuse Institute Berlin, 8–12 July 2024 as a hybrid event with in-person and remote participants.CaMML – Chemistry and Materials Machine Learning School 2026https://compchem.observer/events/camml-chemistry-and-materials-machine-learning-school-2026-2026/2026-09-25T00:00:00ZFive-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.From Data to Dynamics: Machine Learning in Statistical Mechanics and Molecular Simulationshttps://compchem.observer/events/ml-statistical-mechanics-molecular-simulation-2026/2026-09-20T00:00:00ZHow machine learning is changing molecular simulation in practice: learning collective variables, analysing the large trajectory datasets long runs now produce, and reaching biological timescales through enhanced sampling and coarse-graining.Discngine Meetup Vol. 6 — Large Language Models in Drug Discoveryhttps://compchem.observer/events/discngine-meetup-llm-drug-discovery-2026/2026-09-20T00:00:00ZA free two-hour online meeting with industry talks and a roundtable on how far conversational language models and multi-agent systems have actually got in pharmaceutical research, and where they still fall short.19th German Conference on Cheminformatics (GCC 2026)https://compchem.observer/events/gcc-cheminformatics-2026/2026-09-20T00:00:00ZThe 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.66th Sanibel Symposiumhttps://compchem.observer/events/sanibel-symposium-2027/2026-09-20T00:00:00ZThe sixty-sixth edition of a theory meeting running since 1961, covering the quantum theory of atoms, molecules and materials. Announced themes include machine learning, quantum computing, DFT, dynamics and electronic resonances.