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- University of Hong KongHK3 papers
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5 papers · 1 filter
A Corrected Open Boundary Framework for Lattice Boltzmann Immiscible Pseudopotential Models
Yizhong Chen, Zhibin Wang
The pseudopotential lattice Boltzmann method (LBM) is a prominent approach for simulating multiphase flows, valued for its physical intuitiveness and computational tractability. Ho…
Quantum-Classical Hybrid Computation of Electron Transfer in a Cryptochrome Protein via VQE-PDFT and Multiscale Modeling
Yibo Chen, Zirui Sheng, Weitang Li +4
Accurate calculation of strongly correlated electronic systems requires proper treatment of both static and dynamic correlations, which remains challenging for conventional methods…
Inference of maximum parsimony phylogenetic trees with model-based classical and quantum methods
Jiawei Zhang, Yibo Chen, Yang Zhou +1
The maximum parsimony phylogenetic tree reconstruction problem is NP-hard, presenting a computational bottleneck for classical computing and motivating the exploration of emerging…
Enhancing Hepatopathy Clinical Trial Efficiency: A Secure, Large Language Model-Powered Pre-Screening Pipeline
Xiongbin Gui, Hanlin Lv, Xiao Wang +3
Background: Recruitment for cohorts involving complex liver diseases, such as hepatocellular carcinoma and liver cirrhosis, often requires interpreting semantically complex criteri…
Ultrafast photodissociation dynamics of dichloromethane on three-dimensional potential energy surfaces and its Coulomb explosion signature
Yijue Ding
We present efficient and reliable molecular dynamics simulations of the photodissociation of dichloromethane followed by Coulomb explosion. These simulations are performed by calcu…