17 citations · 55 across the 13 of their papers we have counts for
13 papers
Lee-Yang Theory Guided Force Field Refinement Based on Phase Diagrams
Bin Jin, Qijun Ye, Xinzheng Li +2
We propose a general framework for automatic force field refinement guided by phase diagrams, grounded in Lee-Yang phase transition theory. The central idea is to directly use the…
Field-selective criticality in 2D melting revealed by multi-field Lee-Yang zeros
Ling Liu, Fang-Cheng Wang, Qi-Jun Ye +1
How a two-dimensional solid melts remains unsettled after 60 years of study, as theory, model systems, simulations, and atomic-resolution experiments continue to suggest conflictin…
Tracking metastable phases by complex Lee-Yang zeros
Yi-Hua Dong, Ling Liu, Fang-Cheng Wang +2
Metastable phases (MPs) are energetically unfavorable states typically suppressed in equilibrium phase diagrams. Rather than remaining ''hidden'', we show that they exist in the co…
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 understan…
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 $ξ…
Classification and enumeration of solid-solid phase transition mechanisms
Fang-Cheng Wang, Qi-Jun Ye, Yu-Cheng Zhu +1
Crystal-structure match (CSM), the atom-to-atom correspondence between two crystalline phases, is used extensively to describe solid-solid phase transition (SSPT) mechanisms. Howev…
Determination of melting temperature of hexagonal ice using Lee-Yang phase transition theory
Ling Liu, Yihua Dong, Qijun Ye +1
Lee-Yang phase transition theory is a milestone in statistical physics. Its applications in realistic systems, however, had been substantially hindered by availability of practical…
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…
Crystal-Structure Matches in Solid-Solid Phase Transitions
Fang-Cheng Wang, Qi-Jun Ye, Yu-Cheng Zhu +1
The exploration of solid-solid phase transition suffers from the uncertainty of how atoms in two crystal structures match. We devised a theoretical framework to describe and classi…
Complex phase diagram and supercritical matter
Xiao-Yu Ouyang, Qi-Jun Ye, Xin-Zheng Li
The supercritical region is often described as uniform with no definite transitions. The distinct behaviors of the matter therein (as liquid-like and gas-like), however, suggest ``…
Dynamic phase transition theory
Qi-Jun Ye, Xin-Zheng Li
Thermodynamic conventions suffer from describing dynamical distinctions, especially when the structural and energetic changes induced by localized rare events are insignificant. By…
The dynamic nature of high pressure ice VII
Qi-Jun Ye, Lin Zhuang, Xin-Zheng Li
Starting from Shannon's definition of dynamic entropy, we proposed a simple theory to describe the transition between different rare event related dynamic states in condensed matte…
A ferroelectric problem beyond the conventional scaling law
Qi-Jun Ye, Zhi-Yuan Liu, Yexin Feng +2
Ferroelectric (FE) size effects against the scaling law were reported recently in ultrathin group-IV monochalcogenides, and extrinsic effects (e.g. defects and lattice strains) wer…