Quantum Embedding for Molecules and Materials
Quantum embedding methods have emerged as powerful tools for tackling multiscale electronic structure problems in molecules, materials, and their interfaces. This Special Topic Issue invites contributions on the development and application of quantum embedding techniques, including density-, density matrix-, and Green’s function embedding approaches, as well as their integration with quantum computing and machine learning. We welcome submissions addressing ground- and excited states, spectroscopy, and dynamics in molecular systems, solid-state materials, and condensed-phase environments. This issue aims to highlight the crucial role of quantum embedding in bridging length- and time scales in order to make advances in faithful simulation across chemistry, physics, and materials science.
Quantum embedding methods have emerged as powerful tools for tackling multiscale electronic structure problems in molecules, materials, and their interfaces. This Special Topic Issue invites contributions on the development and application of quantum embedding techniques, including density-, density matrix-, and Green’s function embedding approaches, as well as their integration with quantum computing and machine learning. We welcome submissions addressing ground- and excited states, spectroscopy, and dynamics in molecular systems, solid-state materials, and condensed-phase environments. This issue aims to highlight the crucial role of quantum embedding in bridging length- and time scales in order to make advances in faithful simulation across chemistry, physics, and materials science.Topics covered include, but are not limited to:
- Quantum Embedding
- density qunatum embedding
- density matrix quantum embedding
- Green’s function quantum embedding
- quantum computing
- machine learning
- spectroscopy.
Guest Editors
George Booth, King’s College London
Tomasz Wesolowski, University of Geneva
Tianyu Zhu, Yale University