BEGIN:VCALENDAR VERSION:2.0 PRODID:-//CompChem Observer//EN CALSCALE:GREGORIAN X-WR-CALNAME:CompChem Observer — Machine learning for chemistry BEGIN:VEVENT UID:iupac-psk50-international-conference-on-next-horizons-in-polymers-beyon d-the-past-50-toward-the-next-100-2026@compchem.observer DTSTAMP:20260928T154152Z DTSTART;VALUE=DATE:20260928 DTEND;VALUE=DATE:20261002 SUMMARY:IUPAC-PSK50 International Conference on Next Horizons in Polymers: Beyond the past 50\, toward the next 100 DESCRIPTION:Commemorating the 50th anniversary of the Polymer Society of Ko rea\, this international conference gathers researchers to share innovatio ns in polymer science\, engineering\, advanced characterization\, and AI-a ssisted polymer design.\n\nhttps://iupac.org/event/next-horizons-in-polyme rs/ LOCATION:BEXCO\, Busan\, KR URL:https://iupac.org/event/next-horizons-in-polymers/ END:VEVENT BEGIN:VEVENT UID:summer-school-on-chemometrics-and-machine-learning-with-python-5th-edit ion-2026@compchem.observer DTSTAMP:20260928T154152Z DTSTART;VALUE=DATE:20260928 DTEND;VALUE=DATE:20261003 SUMMARY:Summer School on Chemometrics and Machine Learning with Python\, 5t h edition DESCRIPTION:A hands-on summer school on chemometrics and machine learning u sing Python\, covering PCA\, clustering\, classification\, and regression. It aims to provide practical skills for building and evaluating chemometr ic models\, with a maximum of 15 participants.\n\nhttps://www.chimica.unit o.it/do/home.pl/View?doc=chemiometria_ml_con_python.html LOCATION:Sala Rappresentanza\, Dipartimento di Chimica\, Università di Tor ino\, via Giuria 9\, Torino\, IT URL:https://www.chimica.unito.it/do/home.pl/View?doc=chemiometria_ml_con_py thon.html END:VEVENT BEGIN:VEVENT UID:fluctuations-in-charged-and-soft-matter-2026@compchem.observer DTSTAMP:20260928T154152Z DTSTART;VALUE=DATE:20261005 DTEND;VALUE=DATE:20261009 SUMMARY:Fluctuations in charged and soft matter DESCRIPTION:Workshop on fluctuations in charged and soft matter\, covering transport at small scales\, nonequilibrium dynamics\, and computational me thods including machine learning.\n\nhttps://www.cecam.org/workshop-detail s/fluctuations-in-charged-and-soft-matter-1526 LOCATION:Institut Henri Poincaré\, Paris\, FR URL:https://www.cecam.org/workshop-details/fluctuations-in-charged-and-soft -matter-1526 END:VEVENT BEGIN:VEVENT UID:fhi-aims-webinar-automated-data-generation-for-machine-learning-force-f ields-with-aims-pax-and-fhi-aims-2026@compchem.observer DTSTAMP:20260928T154152Z DTSTART;VALUE=DATE:20261007 DTEND;VALUE=DATE:20261009 SUMMARY:FHI-aims Webinar: Automated Data Generation for Machine Learning Fo rce Fields with aims-PAX and FHI-aims DESCRIPTION:A free FHI-aims webinar on Oct 7‑8 2026 about automated d ata generation for ML force fields using aims‑PAX and FHI‑aims\, featu ring a keynote by Tobias Henkes and a hands‑on session.\n\nhttps://event s.ms1p.org/e/webinar_aimspax LOCATION:Online URL:https://events.ms1p.org/e/webinar_aimspax END:VEVENT BEGIN:VEVENT UID:all-russian-conference-chemical-structure-and-properties-of-materials-2 026@compchem.observer DTSTAMP:20260928T154152Z DTSTART;VALUE=DATE:20261012 DTEND;VALUE=DATE:20261016 SUMMARY:All-Russian Conference 'Chemical Structure and Properties of Materi als' DESCRIPTION: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 function al materials design\, and AI in chemistry and materials science.\n\nhttps: //cheminform.ru/konferenczii-i-seminary/himicheskaya-struktura-i-svojstva- materialov/ LOCATION:ИНЭОС РАН\, Moscow\, RU URL:https://cheminform.ru/konferenczii-i-seminary/himicheskaya-struktura-i- svojstva-materialov/ END:VEVENT BEGIN:VEVENT UID:xxxvii-latin-american-congress-of-chemistry-claq-2026-31st-peruvian-con gress-of-chemistry-2026@compchem.observer DTSTAMP:20260928T154152Z DTSTART;VALUE=DATE:20261012 DTEND;VALUE=DATE:20261016 SUMMARY:XXXVII Latin American Congress of Chemistry (CLAQ 2026) / 31st Peru vian Congress of Chemistry DESCRIPTION:The XXXVII Latin American Congress of Chemistry (CLAQ 2026) foc uses on green chemistry\, advanced functional materials\, AI in chemistry\ , and environmental remediation for sustainable development.\n\nhttps://iu pac.org/event/xxxvii-latin-american-congress-of-chemistry-claq-2026/ LOCATION:Sheraton Lima Histori Center\, Lima\, Lima\, PE URL:https://iupac.org/event/xxxvii-latin-american-congress-of-chemistry-cla q-2026/ END:VEVENT BEGIN:VEVENT UID:ml-statistical-mechanics-molecular-simulation-2026@compchem.observer DTSTAMP:20260928T154152Z DTSTART;VALUE=DATE:20261014 DTEND;VALUE=DATE:20261017 SUMMARY:From Data to Dynamics: Machine Learning in Statistical Mechanics an d Molecular Simulations DESCRIPTION:How machine learning is changing molecular simulation in practi ce: learning collective variables\, analysing the large trajectory dataset s long runs now produce\, and reaching biological timescales through enhan ced sampling and coarse-graining.\n\nhttps://www.cecam.org/workshop-detail s/from-data-to-dynamics-machine-learning-in-statistical-mechanics-and-mole cular-simulations-1487 LOCATION:CECAM-Lugano\, Lugano\, CH URL:https://www.cecam.org/workshop-details/from-data-to-dynamics-machine-le arning-in-statistical-mechanics-and-molecular-simulations-1487 END:VEVENT BEGIN:VEVENT UID:discngine-meetup-llm-drug-discovery-2026@compchem.observer DTSTAMP:20260928T154152Z DTSTART;VALUE=DATE:20261020 DTEND;VALUE=DATE:20261021 SUMMARY:Discngine Meetup Vol. 6 — Large Language Models in Drug Discovery DESCRIPTION:A free two-hour online meeting with industry talks and a roundt able on how far conversational language models and multi-agent systems hav e actually got in pharmaceutical research\, and where they still fall shor t.\n\nhttps://event.discngine.com/discngine-meetup-vol-6-large-language-mo dels-in-drug-discovery LOCATION:Online URL:https://event.discngine.com/discngine-meetup-vol-6-large-language-model s-in-drug-discovery END:VEVENT BEGIN:VEVENT UID:chinese-chemical-society-2026-academic-conference-on-theoretical-calcul ation-and-simulation-of-soft-matter-2026@compchem.observer DTSTAMP:20260928T154152Z DTSTART;VALUE=DATE:20261030 DTEND;VALUE=DATE:20261103 SUMMARY:Chinese Chemical Society 2026 Academic Conference on Theoretical Ca lculation and Simulation of Soft Matter DESCRIPTION:Aiming to highlight the role of theoretical simulation and AI i n 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.\n\nhttps: //www.chemsoc.org.cn/meeting/SMTS2026/ LOCATION:Beijing\, Beijing\, CN URL:https://www.chemsoc.org.cn/meeting/SMTS2026/ END:VEVENT BEGIN:VEVENT UID:gcc-cheminformatics-2026@compchem.observer DTSTAMP:20260928T154152Z DTSTART;VALUE=DATE:20261108 DTEND;VALUE=DATE:20261112 SUMMARY:19th German Conference on Cheminformatics (GCC 2026) DESCRIPTION:The nineteenth edition of the German cheminformatics meeting\, with plenary and contributed lectures\, research telegrams for PhD student s and posters. Attendance is capped at 140 people.\n\nhttps://www.gdch.de/ gcc2026 LOCATION:Bad Soden am Taunus\, DE URL:https://www.gdch.de/gcc2026 END:VEVENT BEGIN:VEVENT UID:2nd-women-in-chemical-sciences-conference-wicsic-2026-2026@compchem.obs erver DTSTAMP:20260928T154152Z DTSTART;VALUE=DATE:20261113 DTEND;VALUE=DATE:20261116 SUMMARY:2nd Women in Chemical Sciences Conference (WICSIC 2026) DESCRIPTION:The conference focuses on transforming chemical sciences with A I\, showcasing research and innovations in education and practice\, while promoting women's leadership in STEM.\n\nhttps://iupac.org/event/2nd-women -in-chemical-sciences-conference-wicsic-2026/ LOCATION:Ain Shams University\, Cairo\, Egypt\, Cairo\, EG URL:https://iupac.org/event/2nd-women-in-chemical-sciences-conference-wicsi c-2026/ END:VEVENT BEGIN:VEVENT UID:viii-all-russian-conference-on-structure-and-energetics-of-molecules-20 26@compchem.observer DTSTAMP:20260928T154152Z DTSTART;VALUE=DATE:20261116 DTEND;VALUE=DATE:20261121 SUMMARY:VIII All-Russian Conference on Structure and Energetics of Molecule s DESCRIPTION:The VIII All-Russian Conference on Structure and Energetics of Molecules covers fundamental and applied topics on molecular structure\, t hermochemistry\, molecular dynamics\, theoretical spectroscopy\, and AI/ma chine learning in chemistry. Held in Ivanovo\, Russia.\n\nhttps://conf.isu ct.ru/structchem8 LOCATION:Ivanovo State University of Chemistry and Technology\, Ivanovo\, R U URL:https://conf.isuct.ru/structchem8 END:VEVENT BEGIN:VEVENT UID:japan-society-for-computer-chemistry-2026-autumn-meeting-2026@compchem. observer DTSTAMP:20260928T154152Z DTSTART;VALUE=DATE:20261127 DTEND;VALUE=DATE:20261129 SUMMARY:Japan Society for Computer Chemistry 2026 Autumn Meeting DESCRIPTION:The 2026 Autumn Meeting of the Japan Society for Computer Chemi stry\, co-hosted by the Japan Society for Molecular Science\, will take pl ace in Numazu\, Shizuoka\, from November 27 to 28\, 2026. It is a key even t for sharing research in computational chemistry.\n\nhttps://sites.google .com/view/2026au/ LOCATION:Plaza Verde\, Numazu\, JP URL:https://sites.google.com/view/2026au/ END:VEVENT BEGIN:VEVENT UID:cecam-flagship-workshop-theory-and-simulation-of-biomolecular-phase-sep aration-and-aggregation-2027@compchem.observer DTSTAMP:20260928T154152Z DTSTART;VALUE=DATE:20270111 DTEND;VALUE=DATE:20270115 SUMMARY:CECAM Flagship Workshop: Theory and simulation of biomolecular phas e separation and aggregation DESCRIPTION:Workshop on theory and simulation of biomolecular phase separat ion and aggregation\, covering theoretical methods\, coarse-grained simula tions\, and machine learning approaches to understand condensates and thei r role in disease.\n\nhttps://www.cecam.org/workshop-details/theory-and-si mulation-of-biomolecular-phase-separation-and-aggregation-1272 LOCATION:CECAM-ETHZ\, auditorium E51\, HIT Building\, Zurich\, Zurich\, CH URL:https://www.cecam.org/workshop-details/theory-and-simulation-of-biomole cular-phase-separation-and-aggregation-1272 END:VEVENT BEGIN:VEVENT UID:sanibel-symposium-2027@compchem.observer DTSTAMP:20260928T154152Z DTSTART;VALUE=DATE:20270221 DTEND;VALUE=DATE:20270227 SUMMARY:66th Sanibel Symposium DESCRIPTION:The sixty-sixth edition of a theory meeting running since 1961\ , covering the quantum theory of atoms\, molecules and materials. Announce d themes include machine learning\, quantum computing\, DFT\, dynamics and electronic resonances.\n\nhttps://sanibelsymposium.qtp.ufl.edu/ LOCATION:Embassy Suites by Hilton\, St. Augustine Beach\, US URL:https://sanibelsymposium.qtp.ufl.edu/ END:VEVENT BEGIN:VEVENT UID:machine-learning-assisted-molecular-thermo-dynamics-2027@compchem.obser ver DTSTAMP:20260928T154152Z DTSTART;VALUE=DATE:20270303 DTEND;VALUE=DATE:20270304 SUMMARY:Machine Learning Assisted Molecular (Thermo)Dynamics DESCRIPTION:CECAM Flagship workshop on machine learning for molecular simul ations\, discussing ML interatomic potentials\, coarse-grained models\, ge nerative models\, and challenges in transferability\, reliability\, and sc alability.\n\nhttps://www.cecam.org/workshop-details/machine-learning-assi sted-molecular-thermodynamics-1480 LOCATION:CECAM-HQ-EPFL\, Lausanne\, CH URL:https://www.cecam.org/workshop-details/machine-learning-assisted-molecu lar-thermodynamics-1480 END:VEVENT BEGIN:VEVENT UID:self-assembly-of-materials-merging-direct-experiments-with-simulations- at-different-resolutions-and-data-science-techniques-2027@compchem.observe r DTSTAMP:20260928T154152Z DTSTART;VALUE=DATE:20270310 DTEND;VALUE=DATE:20270313 SUMMARY:Self-assembly of materials: merging direct experiments with simulat ions at different resolutions and data science techniques DESCRIPTION:Workshop on self-assembly of materials\, merging experiments wi th multi-scale simulations and data science techniques to bridge synthesis and modeling.\n\nhttps://www.cecam.org/workshop-details/self-assembly-of- materials-merging-direct-experiments-with-simulations-at-different-resolut ions-and-data-science-techniques-1522 LOCATION:CECAM-FR-MOSER\, Lausanne\, CH URL:https://www.cecam.org/workshop-details/self-assembly-of-materials-mergi ng-direct-experiments-with-simulations-at-different-resolutions-and-data-s cience-techniques-1522 END:VEVENT BEGIN:VEVENT UID:fracture-of-amorphous-materials-across-the-scales-2027@compchem.observe r DTSTAMP:20260928T154152Z DTSTART;VALUE=DATE:20270412 DTEND;VALUE=DATE:20270417 SUMMARY:Fracture of Amorphous Materials Across the Scales DESCRIPTION:Multidisciplinary workshop on fracture of amorphous materials a cross scales\, focusing on communication\, collaborative modeling\, and FA IR data sharing.\n\nhttps://www.cecam.org/workshop-details/fracture-of-amo rphous-materials-across-the-scales-1564 LOCATION:Online URL:https://www.cecam.org/workshop-details/fracture-of-amorphous-materials- across-the-scales-1564 END:VEVENT END:VCALENDAR