Electronic structure
21 upcoming events
In the literature
| Year | Papers |
|---|---|
| 2011 | 13071 |
| 2012 | 12707 |
| 2013 | 12483 |
| 2014 | 12409 |
| 2015 | 11830 |
| 2016 | 11546 |
| 2017 | 11073 |
| 2018 | 11525 |
| 2019 | 11026 |
| 2020 | 11258 |
| 2021 | 10045 |
| 2022 | 9146 |
| 2023 | 9320 |
| 2024 | 8388 |
| 2025 | 10305 |
- Papers
- 664,959
- Citations
- 8,506,097 (citations to papers in these topics; a paper in two of them counts twice)
- Growth over five years
- 0.92×
Top institutions
- Centre National de la Recherche ScientifiqueFR1,222
- Chinese Academy of SciencesCN644
- Université Paris-SaclayFR330
- University of Chinese Academy of SciencesCN318
- University of Science and Technology of ChinaCN311
- Sorbonne UniversitéFR273
- Russian Academy of SciencesRU258
- The University of TokyoJP232
- Imperial College LondonGB224
- Lawrence Berkeley National LaboratoryUS223
Top journals
- The Journal of Chemical Physics 1,556
- The Journal of Physical Chemistry A 1,049
- Physical Chemistry Chemical Physics 844
- Journal of Chemical Theory and Computation 721
- Physical Review A 419
- The Journal of Physical Chemistry Letters 417
- Physical review. B./Physical review. B 350
- Physical Review C 203
- Journal of Computational Chemistry 199
- The Journal of Physical Chemistry C 197
Most cited recent papers
- A comprehensive electron wavefunction analysis toolbox for chemists, Multiwfn(2024)5,070 citations
- Magnetic Properties of Organic Materials(2023)602 citations
- Simple, Efficient, and Universal Energy Decomposition Analysis Method Based on Dispersion-Corrected Density Functional Theory(2023)531 citations
- Electron Spin Echo Envelope Modulation (ESEEM) Spectroscopy(2024)406 citations
- Lectures on Quantum Mechanics(2023)393 citations
OpenAlex topics
On this site
21 upcoming events · 169 groups · 8 open positions
Literature data: OpenAlex (CC0), snapshot of 2026-10-01.
The 2nd Next-Generation Molecular Spin Research Meeting
The 2nd Next-Generation Molecular Spin Research Meeting, organized by the Next-Generation Molecular Spin Research Group, will be held at the University of Tokyo from November 13 to 14, 2026. This symposium focuses on molecular spin science, spintronics, and quantum materials.
The 83rd Okazaki Conference on Circularly Polarized Photonics Frontier (CPPF2026)
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.
VIII All-Russian Conference on Structure and Energetics of Molecules
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.
Atomic Physics 2026
International workshop on atomic physics focusing on quantum correlations in molecular systems, addressing entanglement in ultrafast excitation, ionization, non-adiabatic transitions, and electronic coherence.
Japan Society for Computer Chemistry 2026 Autumn Meeting
The 2026 Autumn Meeting of the Japan Society for Computer Chemistry, co-sponsored by the Japan Society for Molecular Science, will take place in Numazu, Shizuoka, from November 27 to 29, 2026. It is a key event for sharing research in computational chemistry.
TYC20 – Celebration of the Thomas Young Centre at 20
Two-day symposium celebrating 20 years of the Thomas Young Centre, covering electronic structure theory, machine learning, functional materials, biomaterials, and future materials modelling.
Winter School on Reaction Paths and Transition States
The 40th Helsinki Winter School in Theoretical Chemistry covers reaction paths and transition states. Topics include finding reaction paths and modeling transition states using quantum chemistry methods. Features five expert lecturers, poster sessions, and contributed talks. Open to students, postdocs, and professors. No registration fee.
The 16th National Conference on Theoretical and Computational Chemistry of the Chinese Chemical Society
The 16th National Conference on Theoretical and Computational Chemistry of the Chinese Chemical Society will be held in Shenzhen from Dec 26-28, 2026.
Texas Quantum Winter School
A week-long residential winter school on open quantum systems and quantum information in the chemical sciences, held near Austin, Texas. The 2027 special topic is quantum optics and cavities, with lectures on quantum information, polaritons, tensor network methods, and AI in science. Includes hands-on sessions, poster sessions, lodging, and meals on site.
International Workshop on Computational Physics and Materials Science: Total Energy and Force Methods
Renowned biennial workshop on recent progress in electronic structure methods and their applications, bridging the large-scale Psi-k conference and smaller single-method workshops. Held at ICTP, Trieste since 1987 (the series began in 1984), it covers DFT, TDDFT, GW-BSE, DMFT, quantum Monte Carlo, DMRG, high-throughput workflows, and machine learning, with a focus on challenging applications to complex materials, interfaces, liquids, and low-dimensional systems in condensed matter physics, chemistry, and materials science.
Royal Society of Chemistry Theoretical Chemistry Group Graduate Student Meeting
A one-day graduate student meeting organized by the RSC Theoretical Chemistry Group, showcasing computational and theoretical chemistry research. It features a plenary talk, contributed talks, and a poster session, with the Coulson Prize awarded for the best presentation. Travel bursaries and overnight guest rooms are available for students travelling from afar.
F-Electron Materials – from Fundamental to Functional
This workshop covers quantum materials, particularly f-electron systems, exhibiting exotic behaviors like superconductivity, topological states, and strong correlations. It brings together international scientists from the US, Canada, Germany, and Austria to bridge the transatlantic divide, foster cross-disciplinary collaboration between chemistry and physics, and address key open questions in fundamental and functional quantum materials.
13th Virtual Winter School on Computational Chemistry
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.
66th Sanibel Symposium
The sixty-sixth Sanibel Symposium, a theory meeting running since 1961 on the quantum theory of atoms, molecules and materials. 2027 themes span machine learning and quantum computing, density functional theory, quantum dynamics, sampling of complex energy landscapes, electronic resonances, a retrospective on conventional computers in molecular quantum mechanics, magnetic molecules and materials, and electronic structure in gas-phase, condensed matter, and biochemical contexts.
All electron DFT with Fleur - a Hands-on Tutorial
The workshop offers hands-on training on the FLEUR code, an all-electron full-potential linearized augmented-plane-wave (FLAPW) implementation. Density functional theory (DFT) is the standard for predicting electronic, magnetic, and structural properties of materials, and FLAPW is a robust, precise method for DFT calculations on crystals, surfaces, and thin films. The training is designed to help users master these techniques and interact directly with the developers of the code.
Theoretical Spectroscopy Lectures
This school covers ab initio methods for predicting spectroscopy beyond ground-state DFT, focusing on Time-Dependent Density-Functional Theory (TDDFT) and Many-Body Perturbation Theory (MBPT), including Green's function methods. It also introduces modern topics like machine learning for valence and core-level spectroscopy, X-ray spectroscopies (including RIXS), and automated workflows for ab initio simulations. The school combines theoretical lectures with hands-on computational sessions using state-of-the-art codes.
All-Russian Conference on Organic Electronics, Photonics, Photochemistry and Radiation Chemistry 'Electronic and Photonic Processes in…
All-Russian conference on organic electronics, photonics, photochemistry, and radiation chemistry, dedicated to the memory of Professor Anatoly Veniaminovich Vannikov. Covering radiation chemistry, photochemistry, and advanced organic and hybrid materials. Moscow, April 6–9, 2027.
APS Global Physics Summit (Session 15.01.11: Interfacial charge, spin, and chemical dynamics in energy and quantum materials)
Interfacial charge, spin in energy and quantum materials, APS Global Physics Summit Apr 11-16 2027, Atlanta, GA, USA Dear colleagues, I would like to invite you to submit your abstract for the session on "Interfacial charge, spin, and chemical dynamics in energy and quantum…
Full announcement
Interfacial charge, spin in energy and quantum materials, APS Global Physics Summit Apr 11-16 2027, Atlanta, GA, USA Dear colleagues, I would like to invite you to submit your abstract for the session on "Interfacial charge, spin, and chemical dynamics in energy and quantum materials" (session 15.01.11) at the 2027 APS Global Physics Summit, to be held April 11-16 2027 in Atlanta Georgia, USA. A brief description of the Focus Session is below. I look forward to seeing you in Atlanta, Oliver Monti University of Arizona A deep understanding of spin, charge and energy transfer across materials interfaces is crucial for developing next-generation energy storage and conversion systems as well as novel electronic, spintronic and opto-electronic devices. These interfaces are the drivers of spin injection, charge separation, and charge transfer, which are essential for the functionality of the systems and devices. They are inherently complex and evolve under device operation, often constituting bottlenecks for device performance and sometimes leading to materials degradation and failure. The dynamic evolution of the atomic structure at the materials interface coupled with electron dynamics governs energy, spin, and charge transport through the interface. Developing an understanding of these interfacial dynamics is challenging both for imaging and spectroscopy in experiments and for computational simulations due to the multiple temporal and spatial scales as well as the types of interactions involved. This session highlights recent progress in theory and simulation methods and their application to modeling dynamics at solid-solid interfaces, including 2D materials, topological materials, chirality-induced spin selectivity, and solid-gas phase interfaces of relevance to energy and quantum materials, as well as experimental studies to be interpreted through or integrated with such computational approaches. We expect this session to bring together contributions from research on method development and its application to the simulations of charge, spin, and chemical dynamics and energy, charge, and spin transport through materials interfaces, including those of organic and hybrid organic/inorganic structures and devices. This session will include theory and method development for electron-phonon coupling, spin-orbit interactions, and excited state dynamics for solid surfaces and interfaces, and for machine-learning models for accelerated prediction of complex interfacial dynamics including non-adiabatic processes and quantum coherent phenomena. It will also include experimental studies that elucidate the spin and charge dynamics and transport at the interfaces. To join or leave the molecular-dynamics-news email list, go to: http://www.jiscmail.ac.uk/lists/molecular-dynamics-news.html
Advances in Nanoferroic Phenomena
International conference on nanoferroic phenomena, covering ferroelectric, ferroelastic, multiferroic systems, with emphasis on synthesis, characterization, and theoretical modeling including first-principles calculations, molecular dynamics, and phase-field modeling.
Telluride School on Theoretical Chemistry
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.
Electronic Properties of Low-dimensional Quantum and Nanomaterials for Future Technology Platforms
Serbian-German WE-Heraus seminar on the electronic properties of low-dimensional quantum and nanomaterials. Experts discuss Weyl and Dirac materials, topological insulators, layered materials, nanowires, quantum dots, and moiré systems, whose extreme energy quantization, helicity, chirality, and linear energy bands make them candidates for future semiconductor, information, and biotechnology platforms. The interdisciplinary workshop aims to identify the pathways, challenges, and solutions needed to integrate these materials into novel technology platforms.