Chirality-Induced Spin Selectivity: From First-Principles Theory to Predictive Modeling

Submission Deadline: August 31, 2026Contribute to this Special Topic
Decorative ImageChirality-induced spin selectivity (CISS) has emerged as a fundamentally intriguing and technologically promising phenomenon at the interface of physics, chemistry, and materials science. The ability of chiral systems to generate and filter spin polarization in the absence of external magnetic fields challenges conventional understanding of spin-orbit coupling, electron-phonon interactions, many-body effects, spin and charge transport, and symmetry breaking in molecular and condensed-phase systems.

This special topic aims to bring together state-of-the-art advances in first-principles theory and predictive modeling to establish a unified, quantitatively robust framework for CISS. We welcome contributions spanning fundamental theory, methodological innovation, and application-driven studies that elucidate the microscopic mechanisms and define design principles for spin selectivity in chiral systems.

Topics covered include, but are not limited to:

  • First-principles wavefunction- and Green’s function based approaches to CISS, including relativistic electronic structure, time-dependent methods, and nonadiabatic dynamics
  • Role of spin–orbit coupling, electron correlation, electron-phonon coupling, and quantum coherence in spin-selective transport
  • Role of angular momentum transfer among spin and orbital of electron and phonon in chiral systems
  • Chiral-optical and nonlinear optical properties of chiral systems
  • Collective excitations and quasiparticle interactions in chiral systems, for example chiral phonon, chiral magnon, chiral excitons, and chiral polaritons
  • Theoretical models of spin, orbital angular momentum, and electron transport through chiral molecules, interfaces, and assemblies
  • Multiscale and machine learning approaches for predictive modeling of CISS
  • Connections between molecular structure, chirality, and spin polarization
  • Nonequilibrium and ultrafast phenomena underlying spin selectivity
  • Design principles for chiral materials and devices with enhanced spin selectivity
  • Benchmarking, validation, and comparison with experimental measurements

Guest Editors

Xiaosong Li (University of Washington)

Jonas Fransson (Uppsala University)

Yuan Ping (University of Wisconsin – Madison)

Submission Deadline: August 31, 2026Contribute to this Special Topic