BEGIN:VCALENDAR VERSION:2.0 PRODID:-//CompChem Observer//EN CALSCALE:GREGORIAN X-WR-CALNAME:CompChem Observer — Software and HPC BEGIN:VEVENT UID:14th-openmolcas-developers-workshop-2026@compchem.observer DTSTAMP:20260928T154152Z DTSTART;VALUE=DATE:20261005 DTEND;VALUE=DATE:20261008 SUMMARY:14th OpenMolcas Developers' Workshop DESCRIPTION:A workshop for developers and users of the OpenMolcas quantum c hemistry software to discuss new methodologies\, technical developments\, and future perspectives.\n\nhttps://rseq.org/evento/14th-openmolcas-develo pers-workshop/ LOCATION:Institute of Molecular Science (ICMol)\, Valencia\, ES URL:https://rseq.org/evento/14th-openmolcas-developers-workshop/ 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:250th-ecs-meeting-2026@compchem.observer DTSTAMP:20260928T154152Z DTSTART;VALUE=DATE:20261025 DTEND;VALUE=DATE:20261030 SUMMARY:250th ECS Meeting DESCRIPTION:The 250th ECS Meeting\, a historic milestone gathering in Calga ry\, Canada\, uniting researchers and leaders to exchange ideas in electro chemical and solid state science\, clean energy\, and sustainable technolo gy.\n\nhttps://www.electrochem.org/250 LOCATION:BMO Centre\, Calgary\, CA URL:https://www.electrochem.org/250 END:VEVENT BEGIN:VEVENT UID:vienna-ab-initio-simulation-package-2026-2026@compchem.observer DTSTAMP:20260928T154152Z DTSTART;VALUE=DATE:20261104 DTEND;VALUE=DATE:20261106 SUMMARY:Vienna Ab-initio Simulation Package 2026 DESCRIPTION:International online meeting on the Vienna Ab‑initio Simulati on Package (VASP) 2026\, featuring expert talks on electronic‑structure methods\, DFT\, and high‑performance computing\, scheduled for 4‑5 Nov ember 2026\, organized by the HPC Chair at University of Évora and EuroCC 3.\n\nhttps://indico.hpc.uevora.pt/event/185/ LOCATION:Online URL:https://indico.hpc.uevora.pt/event/185/ 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: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: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:fleur-all-electron-dft-tutorial-2027@compchem.observer DTSTAMP:20260928T154152Z DTSTART;VALUE=DATE:20270308 DTEND;VALUE=DATE:20270313 SUMMARY:All electron DFT with Fleur - a Hands-on Tutorial DESCRIPTION:A week of hands-on training on FLEUR\, an all-electron full-pot ential LAPW code\, with its developers present. Run at Forschungszentrum J ülich and streamed online at the same time.\n\nhttps://www.cecam.org/work shop-details/all-electron-dft-with-fleur-a-hands-on-tutorial-1506 LOCATION:Jülich\, DE URL:https://www.cecam.org/workshop-details/all-electron-dft-with-fleur-a-ha nds-on-tutorial-1506 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