Showing 1–18 of 18 results
/ Date/ Name
Jan 7, 2022Variational Quantum Computation of Molecular Linear Response Properties on a Superconducting Quantum ProcessorJul 7, 2023Physics-Constrained Hardware-Efficient Ansatz on Quantum Computers that is Universal, Systematically Improvable, and Size-consistentFeb 28, 2025Quantum-assisted variational Monte CarloJun 8, 2025One-Shot Simulation of Static Disorder in Quantum Dynamics with Equilibrium Initial State via Matrix Product State SamplingApr 8, 2026Spin-adapted neural network backflow for strongly correlated electronsJul 25, 2025Hybrid tensor network and neural network quantum states for quantum chemistryFeb 14, 2026Efficient Simulation of Non-Markovian Path Integrals via Imaginary Time Evolution of an Effective HamiltonianFeb 20, 2024Quantum computation of conical intersections on a programmable superconducting quantum processorMar 3, 2025Driven similarity renormalization group with a large active space: Applications to oligoacenes, zeaxanthin, and chromium dimerApr 17, 2026Multi-reference GW approximation for strongly correlated moleculesJun 28, 2022Fewest-Switches Surface Hopping with Long Short-Term Memory NetworksOct 30, 2024Generalized many-body perturbation theory for the electron correlation energy: multi-reference random phase approximation via diagrammatic resummationNov 6, 2023A distributed multi-GPU ab initio density matrix renormalization group algorithm with applications to the P-cluster of nitrogenaseJan 10, 2020Quantum computation of molecular response propertiesMar 15, 2025Photostriction Facilitates Relaxation of Lattice Distortion in Two-Dimensional PerovskitesJul 26, 2025A unified diagrammatic formulation of single-reference and multi-reference random phase approximations: the particle-hole and particle-particle channelsJan 29, 2026Fewest-Switches Surface Hopping with Combined Deep Learning Potential and Long Short-Term Memory Network Propagator for Simulating Realistic Photochemical ProcessesApr 22, 2026Domain-Wall-Mediated Ultralow-Barrier Sliding and Pinning in Ferroelectric Moiré Superlattices Revealed by Machine Learning