https://compchem.observer/topics/electronic-structure/ 2026-09-28T15:41:52Z CompChem Observer https://compchem.observer/events/14th-openmolcas-developers-workshop-2026/ 2026-09-28T00:00:00Z

A workshop for developers and users of the OpenMolcas quantum chemistry software to discuss new methodologies, technical developments, and future perspectives.

https://compchem.observer/events/green-s-function-methods-the-next-generation-7-2026/ 2026-09-28T00:00:00Z

Workshop on advanced Green's function methods in many-body physics, including GW, vertex corrections, and beyond-GW approaches for electronic structure and excitations.

https://compchem.observer/events/the-13th-national-symposium-on-organic-solid-state-electronic-processes-and-chinese-symposium-on-organic-optoelectronic-functional-materials-2026/ 2026-09-28T00:00:00Z

The 13th National Symposium on Organic Solid State Electronic Processes and Chinese Symposium on Organic Optoelectronic Functional Materials, organized by the Chinese Chemical Society, will be held in Tianjin, China, from October 22 to 25, 2026. It covers organic electronic and…

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.

https://compchem.observer/events/iqce-quantum-chemistry-exploration-symposium-2026-2026/ 2026-09-28T00:00:00Z

The IQCE Quantum Chemistry Exploration Symposium 2026 is a free-to-attend lecture meeting on quantum chemistry, organized by the Institute for Quantum Chemical Exploration and held at the University of Tokyo on November 9, 2026.

https://compchem.observer/events/the-83rd-okazaki-conference-on-circularly-polarized-photonics-frontier-cppf2026-2026/ 2026-09-28T00:00:00Z

The 83rd Okazaki Conference on Circularly Polarized Photonics Frontier (CPPF2026), organized by the Institute for Molecular Science, will be held from November 15 to 17, 2026, at the Okazaki Conference Center in Aichi, Japan. Registration is free.

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.

https://compchem.observer/events/atomic-physics-2026-2026/ 2026-09-28T00:00:00Z

International workshop on atomic physics focusing on quantum correlations in molecular systems, addressing entanglement in ultrafast excitation, ionization, non-adiabatic transitions, and electronic coherence.

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.

https://compchem.observer/events/the-16th-national-conference-on-theoretical-and-computational-chemistry-of-the-chinese-chemical-society-2026/ 2026-09-28T00:00:00Z

The 16th National Conference on Theoretical and Computational Chemistry of the Chinese Chemical Society will be held in Shenzhen from Dec 26-28, 2026. Featuring 16 topics like wavefunction theory, DFT, photochemistry, catalysis, and machine learning, it offers a platform for…

https://compchem.observer/events/13th-virtual-winter-school-on-computational-chemistry-2027/ 2026-09-28T00:00:00Z

The 13th Virtual Winter School on Computational Chemistry is a fully online event featuring teaching-focused lectures, workshops, and discussions across computational and theoretical chemistry.

https://compchem.observer/events/uk-symposium-on-materials-for-sustainability-2026-2026/ 2026-09-27T00:00:00Z

UK Symposium on Materials for Sustainability 2026 will be held 14‑15 September 2026 at Keele University, UK. It invites researchers to share advances in computational materials science, first‑principles methods, 2D and energy materials for sustainable technologies.

https://compchem.observer/events/vienna-ab-initio-simulation-package-2026-2026/ 2026-09-27T00:00:00Z

International online meeting on the Vienna Ab‑initio Simulation Package (VASP) 2026, featuring expert talks on electronic‑structure methods, DFT, and high‑performance computing, scheduled for 4‑5 November 2026, organized by the HPC Chair at University of Évora and EuroCC3.

https://compchem.observer/events/61st-symposium-on-theoretical-chemistry-2025/ 2026-09-26T00:00:00Z

The 61st Symposium on Theoretical Chemistry takes place in Berlin, Germany from September 22-26, 2025, focusing on theoretical chemistry topics.

https://compchem.observer/events/mopac-user-group-2023/ 2026-09-25T00:00:00Z

Virtual MolSSI User Group on MOPAC (June 7, 2023) with Dr. James Stewart and others presenting on MOPAC development, methods (including excited states and SQM), HPC acceleration, software integration, education, and discussion sessions.

https://compchem.observer/events/ccp5-summer-school-2023-2023/ 2026-09-25T00:00:00Z

Two-week CCP5 Summer School (17–28 Jul 2023), daily sessions 09:00–14:00. Registration open; organized by CCP5 for training in computational chemistry methods and software.

https://compchem.observer/events/etsf-young-researchers-meeting-2024-yrm-2024/ 2026-09-25T00:00:00Z

Five-day ETSF Young Researchers' Meeting held 27–31 May 2024 at the University of Paul Sabatier III (Fermi Building) in Toulouse, France, bringing together ~51 researchers from across Europe to discuss electronic-structure and spectroscopy topics.

https://compchem.observer/events/27th-etsf-workshop-on-electronic-excitations-2024/ 2026-09-25T00:00:00Z

27th ETSF Workshop on Electronic Excitations — an interdisciplinary forum in Marseille (3–7 Jun 2024) addressing ultrafast and non-equilibrium dynamics, attosecond time-resolved vibrational and electronic spectroscopy, and related excitation theory.

https://compchem.observer/events/defects-in-solids-for-quantum-technologies-2024-2024/ 2026-09-25T00:00:00Z

Conference on first-principles calculations of defect qubits, focusing on magneto-optical and spin properties for quantum technologies; theory and experiment met at ELTE in Budapest (10–14 June 2024).

https://compchem.observer/events/recent-advances-in-computer-aided-x-ray-spectroscopy-racxs-2024-2024/ 2026-09-25T00:00:00Z

RACXS 2024 was a workshop on computational X‑ray spectroscopy held 17–20 June 2024 at Aalto University (Department of Chemistry and Materials Science), locally organized by Miguel Caro, Tigany Zarrouk and Patrick Rinke.

https://compchem.observer/events/cecam-flagship-workshop-machine-learning-of-first-principles-observables-2024/ 2026-09-25T00:00:00Z

CECAM flagship workshop on machine learning methods for predicting first-principles (ab initio) observables. Held at the CECAM node, Zuse Institute Berlin, 8–12 July 2024 as a hybrid event with in-person and remote participants.

https://compchem.observer/events/quantum-classical-synergies-2026/ 2026-09-20T00:00:00Z

Three days on where quantum processors can usefully complement established electronic-structure methods, covering embedding of strongly correlated fragments, sampling schemes, and the limits imposed by present-day hardware.

https://compchem.observer/events/total-energy-and-force-methods-2027/ 2026-09-20T00:00:00Z

The long-running Total Energy and Force Methods meeting, held at ICTP in Trieste in odd years since 1987. Three days on first-principles methods for the electronic structure of molecules and materials.

https://compchem.observer/events/sanibel-symposium-2027/ 2026-09-20T00:00:00Z

The sixty-sixth edition of a theory meeting running since 1961, covering the quantum theory of atoms, molecules and materials. Announced themes include machine learning, quantum computing, DFT, dynamics and electronic resonances.

https://compchem.observer/events/fleur-all-electron-dft-tutorial-2027/ 2026-09-20T00:00:00Z

A week of hands-on training on FLEUR, an all-electron full-potential LAPW code, with its developers present. Run at Forschungszentrum Jülich and streamed online at the same time.

https://compchem.observer/events/theoretical-spectroscopy-lectures-2027/ 2026-09-20T00:00:00Z

A school on the ab initio methods used to predict what spectroscopy measures, where ground-state DFT is not enough. Covers time-dependent DFT and many-body perturbation theory, including Green's function approaches.

https://compchem.observer/events/telluride-school-theoretical-chemistry-2027/ 2026-09-20T00:00:00Z

A biennial one-week summer school in theoretical chemistry. Around thirty competitively selected participants work closely with a handful of senior faculty on electronic structure, dynamics, biophysics and statistical mechanics.