7 papers
Phonon chirality as an additive control of CISS: a symmetry-protected law
Shi-Qi Zhang, Vipul Upadhyay, Jiayue Han +2
Chirality-induced spin selectivity (CISS) is usually associated with molecular handedness. The possible contribution of chiral phonons is less established. We study a helical tight…
Nonadiabatic Dynamics near Multiple Light-Induced Conical Intersections under Bichromatic Driving: Quantum Wave-Packet Dynamics versus Floquet Surface Hopping
Jiayue Han, Feng An, Wenjie Dou
Light-induced conical intersections (LICIs) create externally tunable pathways for nonadiabatic transitions, enabling active control of molecular photophysical and photochemical pr…
Floquet Nonadiabatic Dynamics for Light-Matter Interactions: Recent Advances and Emerging Opportunities
Jiayue Han, Yu Wang, Vahid Mosallanejad +2
Light-matter interactions provide versatile routes for probing and controlling chemical reactivity, charge transport, and material properties. Time-periodic external fields can res…
Two-Mode Floquet Fewest Switches Surface Hopping for Nonadiabatic Dynamics Driven by Two-Frequency Laser Fields
Jiayue Han, Vahid Mosallanejad, Ruihao Bi +1
Two-frequency (two-color) laser fields provide a powerful and flexible means for steering molecular dynamics. However, quantitatively reliable and scalable theoretical tools for si…
Mixed Quantum-Classical Approaches to Spin Current and Polarization Dynamics in Chiral Molecular Junctions
Yu Wang, Ruihao Bi, Wei Liu +2
Chiral molecular junctions offer a promising platform for realizing chiral-induced spin selectivity (CISS), where spin filtering occurs without external magnetic fields. Here, we i…
Physics-informed Temporal Alignment for Auto-regressive PDE Foundation Models
Congcong Zhu, Xiaoyan Xu, Jiayue Han +1
Auto-regressive partial differential equation (PDE) foundation models have shown great potential in handling time-dependent data. However, these models suffer from the shortcut pro…
StringNET: Neural Network based Variational Method for Transition Pathways
Jiayue Han, Shuting Gu, Xiang Zhou
Rare transition events in meta-stable systems under noisy fluctuations are crucial for many non-equilibrium physical and chemical processes. In these processes, the primary contrib…