Computational spectroscopy
14 upcoming events
In the literature
| Year | Papers |
|---|---|
| 2011 | 11824 |
| 2012 | 11575 |
| 2013 | 11677 |
| 2014 | 11647 |
| 2015 | 11255 |
| 2016 | 12456 |
| 2017 | 10698 |
| 2018 | 10804 |
| 2019 | 10967 |
| 2020 | 11400 |
| 2021 | 10958 |
| 2022 | 10252 |
| 2023 | 10676 |
| 2024 | 9418 |
| 2025 | 9914 |
- Papers
- 596,442
- Citations
- 5,078,135 (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 ScientifiqueFR1,186
- Chinese Academy of SciencesCN627
- University of Chinese Academy of SciencesCN345
- Sorbonne UniversitéFR318
- Université Paris-SaclayFR297
- Russian Academy of SciencesRU290
- Lawrence Berkeley National LaboratoryUS283
- University of Science and Technology of ChinaCN276
- The University of TokyoJP269
- University of California, BerkeleyUS263
Top journals
- The Journal of Chemical Physics 1,727
- Journal of Chemical Theory and Computation 696
- Physical Chemistry Chemical Physics 597
- The Journal of Physical Chemistry Letters 583
- The Journal of Physical Chemistry B 553
- The Journal of Physical Chemistry A 515
- Physical Review A 456
- Journal of Molecular Liquids 307
- Journal of the American Chemical Society 290
- Physical review. B./Physical review. B 271
Most cited recent papers
- 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
- Tailoring water structure with high-tetrahedral-entropy for antifreezing electrolytes and energy storage at −80 °C(2023)329 citations
- Solutal Marangoni effect determines bubble dynamics during electrocatalytic hydrogen evolution(2023)311 citations
OpenAlex topics
On this site
14 upcoming events · 120 groups · 5 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.
Operando Nano Interfaces 2026
Triennial international conference on operando and in situ characterization of dynamic functional interfaces, focusing on catalysis, electrochemistry, batteries, and energy materials through experiment, theory, and materials design.
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.
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.
QLife: Quantum Sensing in the Life Sciences (880. WE-Heraus-Seminar)
The seminar brings together leading scientists and early-career researchers at the intersection of quantum sensing and the life sciences, representing a wide range of disciplines. The aim is to discuss recent experimental and theoretical advances and explore novel routes to deploy quantum technologies in the life sciences, use biomolecules as quantum sensors, and address key problems in medicine. These questions will be addressed through perspective talks, research presentations, hot-topic talks, and extended joint discussion sessions.
Challenges in ionic fluids: Theory, simulation, and experiment
Ionic fluids, such as electrolyte solutions and ionic liquids, are essential in biological and physical sciences but are challenging to understand due to their multiscale nature and the competition between short-range steric and long-range Coulomb interactions. This workshop brings together researchers in theory, simulation, and experiment to explore how recent advances—such as machine-learned potentials, classical density functional theory, and advanced spectroscopic techniques—can help tackle these major outstanding issues.
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.
Multi-Species Trapped-Ion Quantum Logic (WE-Heraus-Seminar)
This seminar brings together experts to explore synergies in multi-species trapped-ion quantum systems. Topics include single-ion optical clocks, quantum logic spectroscopy of highly charged and molecular ions, quantum computing with multiple species to mitigate crosstalk and enable sympathetic cooling, and quantum logic detection of chemical reactions. By addressing challenges like mixed-species crystal dynamics, we aim to foster collaboration and identify synergies in quantum control of internal and external degrees of freedom.
251st ECS Meeting
The 251st ECS Meeting is a premier international gathering focusing on electrochemistry, solid state science and technology, energy storage, materials, and sensors.
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.
Molecules for Quantum Technologies
Molecules offer a versatile and controllable platform for quantum technologies, with long-lived states, coherent light interactions, and tunable properties for sensing, networking, and information processing. This seminar brings together experimentalists, chemists, and theorists to address key challenges like decoherence, qubit addressability, system integration, and molecular design. It aims to establish a shared vocabulary, foster cross-disciplinary collaboration, outline a roadmap, and integrate early-career researchers into the emerging field of molecular quantum technologies.
Mathematics for Quantum Dynamics
This workshop brings together computational and theoretical chemists with applied mathematicians in numerical analysis and scientific computing to advance numerical methods for quantum dynamics in chemistry. It covers essential topics like spectroscopy, observables, nuclear motion representations, vector space theory, error analysis, variational principles, spectral methods, tensor contraction, semiclassical techniques, and Gaussian basis functions, aiming to bridge language barriers and foster long-lasting interdisciplinary collaborations.