Excited states
8 upcoming events
In the literature
| Year | Papers |
|---|---|
| 2011 | 11903 |
| 2012 | 11699 |
| 2013 | 11858 |
| 2014 | 11750 |
| 2015 | 11218 |
| 2016 | 11267 |
| 2017 | 10809 |
| 2018 | 10722 |
| 2019 | 10844 |
| 2020 | 11263 |
| 2021 | 10823 |
| 2022 | 10119 |
| 2023 | 10532 |
| 2024 | 8860 |
| 2025 | 9829 |
- Papers
- 578,322
- Citations
- 5,610,132 (citations to papers in these topics; a paper in two of them counts twice)
- Growth over five years
- 0.87×
Top institutions
- Centre National de la Recherche ScientifiqueFR1,150
- Chinese Academy of SciencesCN572
- Russian Academy of SciencesRU410
- Sorbonne UniversitéFR308
- Université Paris-SaclayFR296
- Lawrence Berkeley National LaboratoryUS282
- University of Chinese Academy of SciencesCN279
- University of Science and Technology of ChinaCN258
- University of California, BerkeleyUS252
- The University of TokyoJP226
Top journals
- The Journal of Chemical Physics 1,811
- Physical Chemistry Chemical Physics 765
- Journal of Chemical Theory and Computation 715
- The Journal of Physical Chemistry A 682
- The Journal of Physical Chemistry Letters 639
- The Journal of Physical Chemistry B 594
- Physical Review A 433
- Journal of Molecular Liquids 424
- Journal of the American Chemical Society 287
- Molecules 243
Most cited recent papers
- A comprehensive electron wavefunction analysis toolbox for chemists, Multiwfn(2024)5,070 citations
- Charge and Energy Transfer Dynamics in Molecular Systems(2023)965 citations
- Simple, Efficient, and Universal Energy Decomposition Analysis Method Based on Dispersion-Corrected Density Functional Theory(2023)531 citations
- The OpenMolcas Web : A Community-Driven Approach to Advancing Computational Chemistry(2023)385 citations
- Electronic Spectra of Polyatomic Molecules(2023)364 citations
OpenAlex topics
On this site
8 upcoming events · 52 groups · 2 open positions
Literature data: OpenAlex (CC0), snapshot of 2026-10-01.
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.
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.
Computational Methods for Defects in Solids Workshop
A workshop bringing together experts and early-career researchers to discuss theoretical and computational advances in modelling defects in solids. Topics include computational software for defect modelling, machine-learned potentials, beyond-DFT methods, and applications in energy conversion, catalysis, and quantum information. Abstracts and registration are open.
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.
Current Topics in Theoretical Chemistry 2027
Workshop on current topics in theoretical chemistry, prioritizing areas that enhance fundamental understanding and contribute to academic communities in Taiwan and the broader Asian region. It highlights two critical fields: density functional theories, addressing fractional charge and spin errors; and dynamics simulations for revealing catalysis, solvation, and complex processes, including machine-learning-enabled simulations and nonadiabatic nuclear-electronic dynamics for coupled electronic-nuclear motions. It aims to share advanced research.
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
Polaritonics Minisymposium at the 2027 APS Global Physics Summit
The Polaritonics Minisymposium, organized by the APS Division of Chemical Physics at the 2027 APS Global Physics Summit, brings together recent advances in molecular polaritons across molecular physics, chemical physics, photonics, and spectroscopy. It welcomes contributions on exciton-polaritons, polariton transport, vibrational polaritons, polariton chemistry, nanophotonic and plasmonic platforms, chiral light-matter interactions, and theoretical approaches to collective light-matter coupling.
6th European Conference on Physical Chemistry (ECPC27)
The 6th European Conference on Physical Chemistry (ECPC27), organised under the EuChemS Division of Physical Chemistry, brings together researchers to discuss advances in physical chemistry. The scientific programme covers theory, simulation and machine learning; molecular spectroscopy, photochemistry and ultrafast processes; surfaces, interfaces and nanomaterials; colloids, soft matter, biophysical chemistry; electrochemistry; energy; green chemistry; photocatalysis, catalysis; and emerging interdisciplinary areas.