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AAAI 2026 Main Conference

January 23, 2026

Singapore, Singapore

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Quantum chemical simulations are a vital area of modern scientific research, as they provide insights into the chemical properties of molecules by solving the Schrödinger equation. This field is crucial for the development of new materials, drug design, and understanding chemical reaction mechanisms. However, traditional classical computing methods face significant challenges when addressing complex quantum chemistry problems, with high computational costs and difficulties in achieving accurate results. The advent of quantum computing offers new hope for quantum chemical simulations, but current quantum computers still operate in the Noisy Intermediate-Scale Quantum (NISQ) era, where quantum bit noise severely affects the accuracy of computations. Therefore, effectively mitigating quantum noise and improving the precision of quantum chemical simulations in the NISQ era remains a critical challenge. This project aims to break through the noise bottleneck in quantum chemical simulations by optimizing quantum variational circuits and adopting advanced error mitigation techniques. The focus will be on designing shorter and more efficient quantum variational circuits to reduce the number of quantum gates, thereby minimizing noise's impact on quantum information.

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