2 papers
physics.comp-ph2026
Relaxation of Incommensurate Structures via Quantum Models
Mengfan Tu, Huajie Chen, Daniel Massatt
Accurately modeling structural relaxation in incommensurate systems is intrinsically challenging due to the absence of global translational symmetry. In this work, we develop a var…
math.NA2025
Convergence of the Discrete Minimum Energy Path
Xuanyu Liu, Huajie Chen, Christoph Ortner
The minimum energy path (MEP) describes the mechanism of reaction, and the energy barrier along the path can be used to calculate the reaction rate in thermal systems. The nudged e…