6 papers
A Semiclassical Gaussian Wavepacket Method for Non-Adiabatic Molecular Dynamics
Lorenzo Bocchi, Jia-Xi Zeng, Michele Ceotto
We introduce two non-adiabatic semiclassical methods that employ two coupled Gaussian wavepackets, each one traveling on a separate diabatic potential energy surface. The wavepacke…
Fermion sign problem and the structure of Lee-Yang zeros. II. Finite temperature results for a model system without interactions
Ran-Chen He, Jia-Xi Zeng, Shu Yang +3
Beyond the analysis of the Lee-Yang (LY) zero of at K presented by our previous work [He et. al. Phys. Rev. E 113, 24115 (2026)], it is important but intricate to understa…
Rigorous Quantum Thermodynamics from Entropic Path Integral Coarse-Graining
Jing Shen, Ziyan Ye, Ming-Zheng Du +5
Nuclear quantum effects (NQEs) remain a major challenge for molecular simulations, as rigorous treatment requires imaginary-time path-integral methods with heavy computational over…
Unconventional superconductivity from lattice quantum disorder
Yu-Cheng Zhu, Jia-Xi Zeng, Xin-Zheng Li
Unconventional superconductivity presents a defining and enduring challenge in condensed matter physics. Prevailing theoretical frameworks have predominantly emphasized electronic…
Revisiting the Fermion Sign Problem from the Structure of Lee-Yang Zeros. I. The Form of Partition Function for Indistinguishable Particles and Its Zeros at 0~K
Ran-Chen He, Jia-Xi Zeng, Shu Yang +3
To simulate indistinguishable particles, recent studies of path-integral molecular dynamics formulated their partition function as a recurrence relation involving a variable $Î…
Quantum disorder induced by nuclear tunneling in lattice
Yu-Cheng Zhu, Jia-Xi Zeng, Qi-Jun Ye +1
Lattice degrees of freedom (DoFs) may induce quantum disorder (QD) when nuclear tunneling outvies long-range order, but conventional phonon theory is incapable of describing such Q…