2 papers
physics.comp-ph2025
Are Foundational Atomistic Models Reliable for Finite-Temperature Molecular Dynamics?
Denan Li, Jiyuan Yang, Xiangkai Chen +2
Machine learning force fields have emerged as promising tools for molecular dynamics (MD) simulations, potentially offering quantum-mechanical accuracy with the efficiency of class…
cond-mat.mtrl-sci2025
Bonding relay for room-temperature oxide plasticity like metals
Xiangkai Chen, Yuhong Li, Xiaofei Zhu +2
Oxides have long been regarded as intrinsically brittle due to their strong, directional ionic or covalent bonds, in stark contrast to the ductile behavior of metals, where delocal…