CompChem Observer — newly added machine-learned potentials events https://compchem.observer/topics/ml-potentials/ 2026-09-28T15:41:52Z CompChem Observer Studying dynamics in soft matter and porous materials https://compchem.observer/events/studying-dynamics-in-soft-matter-and-porous-materials-2026/ 2026-09-28T00:00:00Z CECAM Flagship School on dynamics in soft matter and porous materials, covering polymer dynamics, lattice Boltzmann, coarse-graining, and machine learning, with hands-on sessions using ESPResSo and waLBerla. Machine Learning Assisted Molecular (Thermo)Dynamics https://compchem.observer/events/machine-learning-assisted-molecular-thermo-dynamics-2027/ 2026-09-28T00:00:00Z CECAM Flagship workshop on machine learning for molecular simulations, discussing ML interatomic potentials, coarse-grained models, generative models, and challenges in transferability, reliability, and scalability. Challenges in ionic fluids: Theory, simulation, and experiment https://compchem.observer/events/challenges-in-ionic-fluids-theory-simulation-and-experiment-2027/ 2026-09-28T00:00:00Z Workshop on ionic fluids, uniting theory, simulation, and experiment to tackle multiscale challenges. Topics include ML potentials, classical DFT, and advanced spectroscopic techniques. Current Topics in Theoretical Chemistry 2027 https://compchem.observer/events/current-topics-in-theoretical-chemistry-2027-2027/ 2026-09-28T00:00:00Z Workshop on current topics in theoretical chemistry, focusing on density functional theories and dynamics simulations, including nonadiabatic nuclear-electronic dynamics and machine learning for catalysis. Machine Learning Interatomic Potentials: Bridging Model Development and Interdisciplinary Applications 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. Computational electrochemistry in the era of AI 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. Automating atomistic machine learning 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.