Scalable Quantum Simulation of Molecular Dynamics using Tensor Networks
Jincheng Zhang
Quantum simulation offers a pathway to accurately model and understand complex molecular systems, a task often intractable using classical computational methods. However, the computational cost of simulating quantum systems, particularly those involving many particles and complex interactions, remains a significant barrier. This work presents a novel approach leveraging tensor network methods to achieve scalable quantum simulation of molecular dynamics. We demonstrate how tensor networks can efficiently represent the quantum state of a molecular system, allowing for the accurate calculation of its dynamics. The core idea is to utilize the tensor network representation to reduce the computational complexity associated with traditional quantum simulation algorithms. The presented method offers a promising route toward simulating larger and more realistic molecular systems, opening up new possibilities in fields such as drug discovery, materials science, and fundamental physics. This paper details the theoretical framework and provides a conceptual outline, emphasizing the scalability of the approach.
•Aug 28, 2026•0 citations