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The study of strongly frustrated magnetic systems has drawn great attentions from both theoretical and experimental physics. Efficient simulations of these models are essential for understanding their exotic properties. Here we present PEPS++, a novel computational paradigm for simulating frustrated magnetic systems and other strongly correlated quantum many-body systems. PEPS++ can accurately solve these models at the extreme scale with low cost and high scalability on modern heterogeneous supercomputers. We implement PEPS++ on Sunway TaihuLight based on a carefully designed tensor computation library for manipulating high-rank tensors and optimize it by invoking various high-performance matrix and tensor operations. By solving a 2D strongly frustrated $J_1$-$J_2$ model with over ten million cores, PEPS++ demonstrates the capability of simulating strongly correlated quantum many-body problems at unprecedented scales with accuracy and time-to-solution far beyond the previous state of the art.
Efficient numerical methods are promising tools for delivering unique insights into the fascinating properties of physics, such as the highly frustrated quantum many-body systems. However, the computational complexity of obtaining the wave functions
Neural networks have been used as variational wave functions for quantum many-particle problems. It has been shown that the correct sign structure is crucial to obtain the high accurate ground state energies. In this work, we propose a hybrid wave fu
We present a tree-tensor-network-based method to study strongly correlated systems with nonlocal interactions in higher dimensions. Although the momentum-space and quantum-chemist
We present a robust scheme to derive effective models non-perturbatively for quantum lattice models when at least one degree of freedom is gapped. A combination of graph theory and the method of continuous unitary transformations (gCUTs) is shown to
Recently, there has been significant progress in solving quantum many-particle problem via machine learning based on the restricted Boltzmann machine. However, it is still highly challenging to solve frustrated models via machine learning, which has