This Special Issue welcomes contemporary research that showcases how the original themes of molecular quantum mechanics have evolved over the past century or have been superseded by refined theoretical approaches. Submit your manuscript by April 30, 2026.
The year 2025 marks the 100th anniversary of quantum mechanics, a groundbreaking milestone in the history of modern science. This revolutionary shift began in 1925 with Werner Heisenberg’s introduction of matrix mechanics, followed shortly by Erwin Schrödinger’s development of wave mechanics, published in 1926. During its formative years, quantum mechanics was primarily driven by efforts to explain atomic and molecular spectra, as well as to confirm the very existence of atoms and molecules.
To commemorate a century of quantum mechanics, the Journal of Chemical Theory and Computation (JCTC) is launching a Special Issue titled “100 Years of Quantum Mechanics — All About Molecules.” This issue welcomes original research and perspective articles that showcase the latest advancements in molecular quantum mechanics, while also connecting these contributions to the field’s foundational discoveries. The goal is to encourage the scientific community to reflect on the origins of molecular quantum theory and to explore innovative directions for its continued evolution in the next hundred years. Read the corresponding Editorial to learn more.
Organizing Editors
Prof. Edit Mátyus, Guest Editor
Eötvös Loránd University (ELTE), Hungary
Prof. Francesco A. Evangelista, Associate Editor, JCTC
Emory University, United States
Submission Information
We welcome submissions for this Special Issue through April 30, 2026. For more information on submission requirements, please visit the journal’s Author Guidelines page.
Accepted manuscripts for consideration in this Special Issue will include research articles, perspectives, and reviews. Papers accepted for publication for this Special Issue will be available ASAP (as soon as publishable) online. After all submissions have been published, they will then be compiled online on a dedicated landing page to form the Special Issue. Manuscripts submitted for consideration will undergo the full rigorous peer review process expected from ACS journals.
Open Access: There are diverse open access options for publications in American Chemical Society journals. Please visit our Open Science Resource Center for more information.
How to Submit
- Log in to the ACS Publishing Center.
- Select the "Journals" tab.
- Choose Journal of Chemical Theory and Computation.
- Click "Submit."
- Select your manuscript type, and, under "Special Issue Selection," choose “100 Years of Quantum Mechanics — All About Molecules."
If you have any general questions regarding submission to this Special Issue, please contact
Get e-Alerts
Stay Connected with Journal of Chemical Theory and Computation
Never miss an issue again! Sign up now for email updates on future calls for papers, the latest articles, and other content from Journal of Chemical Theory and Computation.
