This Special Issue will highlight the applications of recent advancements in quantum information to chemistry. Submit your manuscript by November 30, 2026.
Quantum information in chemistry applies the principles of quantum mechanics and quantum computation to solve complex chemical problems. Traditional computers represent chemical structures with binary bits, while quantum computers use qubits that operate on the same physical principles as the simulated atoms. Qubits and their generalizations can represent molecular structures and properties naturally and efficiently, surpassing classical limitations in simulating electron correlation and reaction dynamics, and potentially achieving accuracy that has not been attainable previously. Quantum information theory provides the mathematical language to describe entanglement and quantum correlation in chemical structures, extending beyond the classical mechanical language of energies, electron densities and chemical bonds.
The field aims to utilize hardware available for quantum computation and implement quantum algorithms to transforming computational chemistry and molecular design, and deepen our understanding of both fundamental physics and chemical behavior, providing a conceptual foundation that unites molecular structure, reaction dynamics, and quantum simulation. The enhanced computational efficiency and the concepts representing chemistry at a natural and deep level can lead to breakthroughs in many applications, from molecular design and drug discovery to novel materials for energy harvesting and storage, imaging, sensing, etc. To highlight the applications of recent advancements in this fast moving field, The Journal of Physical Chemistry Letters will publish a special issue called “Quantum Information in Chemistry.”
Topics include, but are not limited to:
- Quantum computational chemistry, quantum algorithms.
- Quantum-classical computing, quantum embedding and fragmentation.
- Quantum circuits and networks, error correction, fault-tolerant computation.
- Quantum information hardware
- Application of quantum computing
Organizing Editors
Professor Oleg Prezhdo, Executive Editor, The Journal of Physical Chemistry Letters
The University of New Mexico, United States
Submission Information
We welcome submissions for this Special Issue through November 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 only include letters articles. 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 The Journal of Physical Chemistry Letters.
- Click "Submit."
- Select your manuscript type, and, under "Special Issue Selection," choose “Quantum Information in Chemistry."
If you have any general questions regarding submission to this Special Issue, please contact the Editor-in-Chief’s office (eic@jpclett.acs.org).
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