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physics.chem-ph2025★ 1 cited
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.str-el2025
Improved time-translationally invariant tensor network influence functional method for Anderson impurity problems
Zhijie Sun, Zhenyu Li, Chu Guo
The Anderson impurity model (AIM) is of fundamental importance in condensed matter physics for studying strongly correlated phenomena. However, accurately simulating its long-time…
quant-ph2025
Perturbative Variational Quantum Eigensolver via Reduced Density Matrices
Yuhan Zheng, Yibin Guo, Huili Zhang +5
Current noisy intermediate-scale quantum (NISQ) devices remain limited in their ability to perform accurate quantum chemistry simulations due to restricted numbers of high-fidelity…