ML-Accelerated Excited-State Quantum Algorithm

High-Accuracy PES Predictions

A deep neural network learns quantum circuit parameters to achieve highly accurate excited-state potential energy surfaces on quantum computers without extensive parameter optimization.

Qun, Ji · Li, Xiaopeng · Zhang, Yehui · Chen, Xinyu · Ju, Minggang · Wang, Jinlan

Journal of Physical Chemistry Letters 2024

Advantages

Highly accurate prediction of excited-state potential energy surfaces

Achieves precise excited-state property calculations