8 papers
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…
Generalized quantum master equation from memory kernel coupling theory
Rui-Hao Bi, Wei Liu, Wenjie Dou
The generalized quantum master equation provides a powerful framework for non-Markovian dynamics of open quantum systems. However, the accurate and efficient evaluation of the memo…
Projection-Based Memory Kernel Coupling Theory for Quantum Dynamics: A Stable Framework for Non-Markovian Simulations
Wei Liu, Rui-Hao Bi, Yu Su +4
We present a projection-based, stability-preserving methodology for computing time correlation functions in open quantum systems governed by generalized quantum master equations wi…
Implicitly Restarted Lanczos Enables Chemically-Accurate Shallow Neural Quantum States
Wei Liu, Wenjie Dou
The variational optimization of high-dimensional neural network models, such as those used in neural quantum states (NQS), presents a significant challenge in machine intelligence.…
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…
Scalable Neural Quantum State based Kernel Polynomial Method for Optical Properties from the First Principle
Wei Liu, Rui-Hao Bi, Wenjie Dou
Variational optimization of neural-network quantum state representations has achieved FCI-level accuracy for ground state calculations, yet computing optical properties involving e…