SHARC meets TEQUILA: mixed quantum-classical dynamics on a quantum computer using a hybrid quantum-classical algorithm.

ABSTRACT: Recent developments in quantum computing are highly promising, particularly in the realm of quantum chemistry. Due to the noisy nature of currently available quantum hardware, hybrid quantum-classical algorithms have emerged as a reliable option for near-term simulations. Mixed quantum-classical dynamics methods effectively capture nonadiabatic effects by integrating classical nuclear dynamics with quantum chemical computations of the electronic properties. However, these methods face challenges due to the high computational cost of the quantum chemistry part. To mitigate the computational demand, we propose a method where the required electronic properties are computed through a hybrid quantum-classical approach that combines classical and quantum hardware. This framework employs the vari

SUBMITTER: Sangiogo Gil E 

PROVIDER: S-EPMC11653199 | biostudies-literature | 2025 Jan

REPOSITORIES: biostudies-literature