Author

Qing-Yong Meng

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Oct 2026

Nuclear-Wavefunction Geometric Phase Verified by Variable Separation for a 96D + 2D Molecule–Surface Model with Nozzle and Surface Parameters

It has been well-known that the geometric phase of the electronic wavefunction is due to separation of electrons and nuclei. The associated geometric phase effects were considered in quantum molecular dynamics by adding a vector potential, called the Berry connection, into the nuclear Hamiltonian operator (e.g., Scie...

Xing-Yu Zhang, Jin-Ke Yu, Qing-Yong Meng · Journal of Physical Chemistr... · 0 citations

Review Aug 2026

Implementation Possibility of Quantum Simulation for Quantum Molecular Dynamics

In this work, we explore the implementation possibility of quantum simulation for quantum molecular dynamics, in particular for reaction dynamics, though several implementations have already reported through quantum-classical mixed simulations ({\it Acc. Chem. Res.} {\bf 54} (2021), 4229 and {\it J. Phys. Chem. Lett.}...

Xing-Yu Zhang, Wei-Jia Guo, Jin-Ke Yu et al. · 0 citations