BEGIN:VCALENDAR VERSION:2.0 PRODID:-//CompChem Observer//EN CALSCALE:GREGORIAN X-WR-CALNAME:CompChem Observer — Molecular dynamics BEGIN:VEVENT UID:mlip-model-development-applications-2026@compchem.observer DTSTAMP:20260928T154152Z DTSTART;VALUE=DATE:20260930 DTEND;VALUE=DATE:20261003 SUMMARY:Machine Learning Interatomic Potentials: Bridging Model Development and Interdisciplinary Applications DESCRIPTION:A CECAM workshop in Taiwan that puts the people who build machi ne-learned interatomic potentials in the same room as the people who apply them\, covering descriptors\, message-passing models\, transferability an d cost.\n\nhttps://www.cecam.org/workshop-details/machine-learning-interat omic-potentials-bridging-model-development-and-interdisciplinary-applicati ons-1543 LOCATION:Interdisciplinary Research Building for Science and Technology\, A cademia Sinica\, Taipei\, TW URL:https://www.cecam.org/workshop-details/machine-learning-interatomic-pot entials-bridging-model-development-and-interdisciplinary-applications-1543 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:studying-dynamics-in-soft-matter-and-porous-materials-2026@compchem.obs erver DTSTAMP:20260928T154152Z DTSTART;VALUE=DATE:20261005 DTEND;VALUE=DATE:20261010 SUMMARY:Studying dynamics in soft matter and porous materials DESCRIPTION:CECAM Flagship School on dynamics in soft matter and porous mat erials\, covering polymer dynamics\, lattice Boltzmann\, coarse-graining\, and machine learning\, with hands-on sessions using ESPResSo and waLBerla .\n\nhttps://www.cecam.org/workshop-details/studying-dynamics-in-soft-matt er-and-porous-materials-1510 LOCATION:Institute for Computational Physics\, University of Stuttgart\, St uttgart\, Stuttgart\, DE URL:https://www.cecam.org/workshop-details/studying-dynamics-in-soft-matter -and-porous-materials-1510 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: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:computer-modeling-and-structural-analysis-of-molecules-cmsam-2026-2026@ compchem.observer DTSTAMP:20260928T154152Z DTSTART;VALUE=DATE:20261109 DTEND;VALUE=DATE:20261112 SUMMARY:Computer Modeling and Structural Analysis of Molecules (CMSAM-2026) DESCRIPTION:The CMSAM-2026 conference focuses on computer modeling and stru ctural analysis of molecules. It will take place in Moscow from November 9 to 11\, 2026\, with a submission deadline of October 9\, 2026.\n\nhttps:/ /zioc.ru/science/conf/nauchnaya-konferencziya-kompyuternoe-modelirovanie-i -strukturnyij-analiz-molekul LOCATION:Moscow\, RU URL:https://zioc.ru/science/conf/nauchnaya-konferencziya-kompyuternoe-model irovanie-i-strukturnyij-analiz-molekul END:VEVENT BEGIN:VEVENT UID:multiscale-simulation-of-materials-for-roads-infrastructures-2026@compc hem.observer DTSTAMP:20260928T154152Z DTSTART;VALUE=DATE:20261116 DTEND;VALUE=DATE:20261119 SUMMARY:Multiscale Simulation of Materials for Roads Infrastructures DESCRIPTION:This CECAM workshop focuses on multiscale modeling and simulati on of road and building materials\, bridging molecular dynamics\, coarse-g rained models\, and continuum mechanics to predict performance and aging o f complex composites.\n\nhttps://www.cecam.org/workshop-details/multiscale -simulation-of-materials-for-roads-infrastructures-1534 LOCATION:CECAM-FR-MOSER\, :null\,\, FR URL:https://www.cecam.org/workshop-details/multiscale-simulation-of-materia ls-for-roads-infrastructures-1534 END:VEVENT BEGIN:VEVENT UID:rna-modifications-at-the-crossroads-of-simulations-chemistry-and-biolog y-2026@compchem.observer DTSTAMP:20260928T154152Z DTSTART;VALUE=DATE:20261116 DTEND;VALUE=DATE:20261119 SUMMARY:RNA modifications at the Crossroads of simulations\, chemistry and biology DESCRIPTION:Workshop on RNA modifications using computational methods\, che mistry\, and biology. Topics include molecular simulations\, bioinformatic s\, and drug design for RNA-modifying enzymes.\n\nhttps://www.cecam.org/wo rkshop-details/rna-modifications-at-the-crossroads-of-simulations-chemistr y-and-biology-1532 LOCATION:Université Paris Cité\, Paris\, FR URL:https://www.cecam.org/workshop-details/rna-modifications-at-the-crossro ads-of-simulations-chemistry-and-biology-1532 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:new-frontiers-in-nonequilibrium-statistical-physics-of-glasses-2026@com pchem.observer DTSTAMP:20260928T154152Z DTSTART;VALUE=DATE:20261130 DTEND;VALUE=DATE:20261205 SUMMARY:New Frontiers in Nonequilibrium Statistical Physics of Glasses DESCRIPTION:CECAM flagship workshop on nonequilibrium statistical physics o f glasses\, focusing on vitrification\, jamming\, active matter\, mode-cou pling theory\, and machine learning for kinetic arrest.\n\nhttps://www.cec am.org/workshop-details/new-frontiers-in-nonequilibrium-statistical-physic s-of-glasses-1497 LOCATION:Online URL:https://www.cecam.org/workshop-details/new-frontiers-in-nonequilibrium- statistical-physics-of-glasses-1497 END:VEVENT BEGIN:VEVENT UID:40th-molecular-simulation-symposium-2026@compchem.observer DTSTAMP:20260928T154152Z DTSTART;VALUE=DATE:20261207 DTEND;VALUE=DATE:20261210 SUMMARY:40th Molecular Simulation Symposium DESCRIPTION:The 40th Molecular Simulation Symposium\, organized by the Soci ety for Molecular Simulation\, will take place December 7-9\, 2026\, at Ky ushu University Medical School Centennial Hall. It is co-organized with th e Japan Society for Molecular Science.\n\nhttps://www.molsci.jp/news/cospo nsor/n260707/ LOCATION:Kyushu University Medical School Centennial Hall\, Fukuoka\, JP URL:https://www.molsci.jp/news/cosponsor/n260707/ END:VEVENT BEGIN:VEVENT UID:molsim-2027@compchem.observer DTSTAMP:20260928T154152Z DTSTART;VALUE=DATE:20270104 DTEND;VALUE=DATE:20270116 SUMMARY:MolSim 2027 DESCRIPTION:A two-week school that builds molecular simulation up from stat istical mechanics\, pairing lectures with hands-on sessions on simple mode l systems. Aimed at PhD students and postdocs in physics\, chemistry and b iology.\n\nhttps://www.cecam.org/workshop-details/molsim-2027-1542 LOCATION:Amsterdam\, NL URL:https://www.cecam.org/workshop-details/molsim-2027-1542 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:challenges-in-ionic-fluids-theory-simulation-and-experiment-2027@compch em.observer DTSTAMP:20260928T154152Z DTSTART;VALUE=DATE:20270322 DTEND;VALUE=DATE:20270326 SUMMARY:Challenges in ionic fluids: Theory\, simulation\, and experiment DESCRIPTION:Workshop on ionic fluids\, uniting theory\, simulation\, and ex periment to tackle multiscale challenges. Topics include ML potentials\, c lassical DFT\, and advanced spectroscopic techniques.\n\nhttps://www.cecam .org/workshop-details/challenges-in-ionic-fluids-theory-simulation-and-exp eriment-1483 LOCATION:CECAM-HQ-EPFL\, Lausanne\, CH URL:https://www.cecam.org/workshop-details/challenges-in-ionic-fluids-theor y-simulation-and-experiment-1483 END:VEVENT BEGIN:VEVENT UID:current-topics-in-theoretical-chemistry-2027-2027@compchem.observer DTSTAMP:20260928T154152Z DTSTART;VALUE=DATE:20270328 DTEND;VALUE=DATE:20270403 SUMMARY:Current Topics in Theoretical Chemistry 2027 DESCRIPTION:Workshop on current topics in theoretical chemistry\, focusing on density functional theories and dynamics simulations\, including nonadi abatic nuclear-electronic dynamics and machine learning for catalysis.\n\n https://www.cecam.org/workshop-details/current-topics-in-theoretical-chemi stry-2027-1544 LOCATION:CECAM-TW\, CECAM-TW\, TW URL:https://www.cecam.org/workshop-details/current-topics-in-theoretical-ch emistry-2027-1544 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