CompChem Observer — newly added molecular dynamics events https://compchem.observer/topics/molecular-dynamics/ 2026-09-28T15:41:52Z CompChem Observer Fluctuations in charged and soft matter https://compchem.observer/events/fluctuations-in-charged-and-soft-matter-2026/ 2026-09-28T00:00:00Z Workshop on fluctuations in charged and soft matter, covering transport at small scales, nonequilibrium dynamics, and computational methods including machine learning. 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. Chinese Chemical Society 2026 Academic Conference on Theoretical Calculation and Simulation of Soft Matter https://compchem.observer/events/chinese-chemical-society-2026-academic-conference-on-theoretical-calculation-and-simulation-of-soft-matter-2026/ 2026-09-28T00:00:00Z Aiming 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. Computer Modeling and Structural Analysis of Molecules (CMSAM-2026) https://compchem.observer/events/computer-modeling-and-structural-analysis-of-molecules-cmsam-2026-2026/ 2026-09-28T00:00:00Z The CMSAM-2026 conference focuses on computer modeling and structural analysis of molecules. It will take place in Moscow from November 9 to 11, 2026, with a submission deadline of October 9, 2026. Multiscale Simulation of Materials for Roads Infrastructures https://compchem.observer/events/multiscale-simulation-of-materials-for-roads-infrastructures-2026/ 2026-09-28T00:00:00Z This CECAM workshop focuses on multiscale modeling and simulation of road and building materials, bridging molecular dynamics, coarse-grained models, and continuum mechanics to predict performance and aging of complex composites. RNA modifications at the Crossroads of simulations, chemistry and biology https://compchem.observer/events/rna-modifications-at-the-crossroads-of-simulations-chemistry-and-biology-2026/ 2026-09-28T00:00:00Z Workshop on RNA modifications using computational methods, chemistry, and biology. Topics include molecular simulations, bioinformatics, and drug design for RNA-modifying enzymes. VIII All-Russian Conference on Structure and Energetics of Molecules https://compchem.observer/events/viii-all-russian-conference-on-structure-and-energetics-of-molecules-2026/ 2026-09-28T00:00:00Z The 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 Meeting https://compchem.observer/events/japan-society-for-computer-chemistry-2026-autumn-meeting-2026/ 2026-09-28T00:00:00Z The 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. New Frontiers in Nonequilibrium Statistical Physics of Glasses https://compchem.observer/events/new-frontiers-in-nonequilibrium-statistical-physics-of-glasses-2026/ 2026-09-28T00:00:00Z CECAM flagship workshop on nonequilibrium statistical physics of glasses, focusing on vitrification, jamming, active matter, mode-coupling theory, and machine learning for kinetic arrest. 40th Molecular Simulation Symposium https://compchem.observer/events/40th-molecular-simulation-symposium-2026/ 2026-09-28T00:00:00Z The 40th Molecular Simulation Symposium, organized by the Society for Molecular Simulation, will take place December 7-9, 2026, at Kyushu University Medical School Centennial Hall. It is co-organized with the Japan Society for Molecular Science. 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. Self-assembly of materials: merging direct experiments with simulations at different resolutions and data science techniques https://compchem.observer/events/self-assembly-of-materials-merging-direct-experiments-with-simulations-at-different-resolutions-and-data-science-techniques-2027/ 2026-09-28T00:00:00Z Workshop on self-assembly of materials, merging experiments with multi-scale simulations and data science techniques to bridge synthesis and modeling. 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. Fracture of Amorphous Materials Across the Scales https://compchem.observer/events/fracture-of-amorphous-materials-across-the-scales-2027/ 2026-09-28T00:00:00Z Multidisciplinary workshop on fracture of amorphous materials across scales, focusing on communication, collaborative modeling, and FAIR data sharing. CCP5 AGM42 (University of Huddersfield) https://compchem.observer/events/ccp5-agm42-university-of-huddersfield-2022/ 2026-09-25T00:00:00Z CCP5 Annual General Meeting (AGM42) at the University of Huddersfield, 5–7 Sep 2022. A conference of the modelling community with invited and contributed talks and posters; new members and PhD students encouraged. Registration and abstract deadlines apply. CCP5 Annual General Meeting (AGM 43) https://compchem.observer/events/ccp5-annual-general-meeting-agm-43-2023/ 2026-09-25T00:00:00Z CCP5 Annual General Meeting at the University of Warwick, 11–13 Sep 2023. A modelling-community meeting with invited speakers, contributed talks and a poster session; new members and PhD students encouraged to present. Sponsored by CCP5 and RSC. DL_POLY Training London, 10-11 January 2024 https://compchem.observer/events/dl-poly-training-london-10-11-january-2024-2024/ 2026-09-25T00:00:00Z Two-day hands-on training (10–11 Jan 2024) on atomistic modelling using the DL_POLY MD package and DL_FIELD force-field builder. Includes exercises and problem sessions; free but registration required by 2024-01-01. In-person at Queen Mary University of London. CCP5 Annual General Meeting (AGM45) https://compchem.observer/events/ccp5-annual-general-meeting-agm45-2025/ 2026-09-25T00:00:00Z CCP5 AGM45: a research showcase and networking meeting for the modelling community, encouraging early-career talks and posters. Held 8–10 Sep 2025 at the University of Liverpool. Organisers: Dr Aron Finney, Dr Dmytro Antypov, Dr Alin Elena. 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. From Data to Dynamics: Machine Learning in Statistical Mechanics and Molecular Simulations https://compchem.observer/events/ml-statistical-mechanics-molecular-simulation-2026/ 2026-09-20T00:00:00Z How 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. MolSim 2027 https://compchem.observer/events/molsim-2027/ 2026-09-20T00:00:00Z A two-week school that builds molecular simulation up from statistical mechanics, pairing lectures with hands-on sessions on simple model systems. Aimed at PhD students and postdocs in physics, chemistry and biology.