BEGIN:VCALENDAR VERSION:2.0 PRODID:-//CompChem Observer//EN CALSCALE:GREGORIAN X-WR-CALNAME:CompChem Observer — Machine-learned potentials 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: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:computational-electrochemistry-ai-2027@compchem.observer DTSTAMP:20260928T154152Z DTSTART;VALUE=DATE:20270111 DTEND;VALUE=DATE:20270115 SUMMARY:Computational electrochemistry in the era of AI DESCRIPTION:Four days on simulating electrochemical interfaces for batterie s\, fuel cells and electrolysers\, and on what machine-learned potentials and AI-driven workflows change about how those interfaces are modelled.\n\ nhttps://www.cecam.org/workshop-details/computational-electrochemistry-in- the-era-of-ai-1501 LOCATION:Beijing\, CN URL:https://www.cecam.org/workshop-details/computational-electrochemistry-i n-the-era-of-ai-1501 END:VEVENT BEGIN:VEVENT UID:automating-atomistic-machine-learning-2027@compchem.observer DTSTAMP:20260928T154152Z DTSTART;VALUE=DATE:20270125 DTEND;VALUE=DATE:20270128 SUMMARY:Automating atomistic machine learning DESCRIPTION:Machine-learned interatomic potentials still lean on hand-tunin g and personal experience. This workshop looks at the automated workflows\ , provenance and reproducible benchmarking needed to make them a routine t ool.\n\nhttps://www.cecam.org/workshop-details/automating-atomistic-machin e-learning-1494 LOCATION:CECAM-HQ-EPFL\, Lausanne\, CH URL:https://www.cecam.org/workshop-details/automating-atomistic-machine-lea rning-1494 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: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 END:VCALENDAR