3 papers
nucl-th2025
Relativistic orbital-free kinetic energy density functional for one-particle nuclear systems
X. H. Wu, Z. X. Ren, H. Z. Liang +1
This letter aims to derive the exact relativistic orbital-free kinetic energy density functional for one-particle nuclear systems in one-dimensional case. The kinetic energy is exp…
cond-mat.mtrl-sci2025
Energy Underprediction from Symmetry in Machine-Learning Interatomic Potentials
Wei Nong, Ruiming Zhu, Zekun Ren +7
Machine learning interatomic potentials (MLIAPs) have emerged as powerful tools for accelerating materials simulations with near-density functional theory (DFT) accuracy. However,…
nucl-th2024
Machine learning orbital-free density functional theory: taming quantum shell effects in deformed nuclei
X. H. Wu, Z. X. Ren, P. W. Zhao
Accurate description of deformed atomic nuclei by the orbital-free density functional theory has been a longstanding textbook challenge, due to the difficulty in accounting for the…