6 citations · 6 across the 1 of their papers we have counts for
2 papers
physics.chem-ph2025
Quantum-centric machine learning for molecular dynamics
Yanxian Tao, Lingyun Wan, Xiongzhi Zeng +4
Accurate and efficient prediction of electronic wavefunctions is central to ab initio molecular dynamics (AIMD) and electronic structure theory. However, conventional ab initio met…
cond-mat.mtrl-sci2015★ 6 cited
Single layer of MX3 (M=Ti, Zr; X=S, Se, Te): a new platform for nano-electronics and optics
Yingdi Jin, Xingxing Li, Jinlong Yang
A serial of two dimensional titanium and zirconium trichalcogenides nanosheets MX3 (M=Ti, Zr; X=S, Se, Te) are investigated based on first-principles calculations. The evaluated lo…