Structural chirality and electronic chirality in quantum materials

B Yan - Annual Review of Materials Research, 2024 - annualreviews.org
In chemistry and biochemistry, chirality represents the structural asymmetry characterized by
nonsuperimposable mirror images for a material such as DNA. In physics, however, chirality …

Detecting Chirality-Induced Spin Selectivity in Randomly Oriented Radical Pairs Photogenerated by Hole Transfer

HJ Eckvahl, G Copley, RM Young… - Journal of the …, 2024 - ACS Publications
Chirality-induced spin selectivity (CISS) has the potential to control the spin dynamics of
chiral molecules for applications in quantum information science. Here we investigate the …

Surface Magnetic Stabilization and the Photoemission Chiral-Induced Spin-Selectivity Effect

OLA Monti, Y Dubi - Journal of the American Chemical Society, 2024 - ACS Publications
The spinterface mechanism was suggested as a possible origin for the chirality-induced spin-
selectivity (CISS) effect and was used to explain and reproduce, with remarkable accuracy …

Chirality-Induced Spin Selectivity: Analysis of Density Functional Theory Calculations

PN Day, R Pachter, KA Nguyen… - Journal of Chemical …, 2024 - ACS Publications
Chirality-induced spin selectivity (CISS), which was demonstrated in several molecular and
material systems, has drawn much interest recently. The phenomenon, described in electron …

Spin-Dependent Stereochemistry: A Nonadiabatic Quantum Dynamics Case Study of S + H2 → SH + H Reaction

X Bian, JE Subotnik - The Journal of Physical Chemistry Letters, 2024 - ACS Publications
We study the spin-dependent stereodynamics of the S+ H2→ SH+ H reaction by using full-
dimensional quantum dynamics calculations with zero total nuclear angular momentum …

Non-classical Temperature Dependence of Chirality-Induced Magnetization and Its Implications for RNA's Homochirality

Y Kapon, L Brann, S Yochelis, J Fransson… - arxiv preprint arxiv …, 2024 - arxiv.org
The single-handedness of biomolecules is a characteristic feature of life on Earth, yet
achieving and maintaining a homochiral prebiotic network is a significant challenge. In our …

Heat transport with a twist

E Abraham, M Dinpajooh, C Climent… - The Journal of Chemical …, 2023 - pubs.aip.org
Despite the desirability of polymers for use in many products due to their flexibility, light
weight, and durability, their status as thermal insulators has precluded their use in …

Foreword to the Special Issue Chiral Induced Spin Selectivity

R Naaman, JE Subotnik, DH Waldeck - The Journal of Chemical …, 2024 - pubs.aip.org
The chiral induced spin selectivity effect (CISS) is the finding that the motion of an electron
within or through chiral systems depends on the spin of that electron. A manuscript …

Polaron spin states in chiral systems

ZW Wang, RB Yang, Y Cui, WP Li, XQ Dong, ZQ Li - Physical Review B, 2024 - APS
We theoretically study polaron spin states in chiral systems for both weak and strong
electron-phonon coupling using the well-known Lee-Low-Pines unitary transformations …

A Phase-Space Electronic Hamiltonian for Molecules in a Static Magnetic Field II: Quantum Chemistry Calculations with Gauge Invariant Atomic Orbitals

M Bhati, Z Tao, X Bian, J Rawlinson, R Littlejohn… - arxiv preprint arxiv …, 2024 - arxiv.org
In a companion paper, we have developed a phase-space electronic structure theory of
molecules in magnetic fields, whereby the electronic energy levels arise from diagonalizing …