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Trotter error bounds and dynamic multi-product formulas for Hamiltonian simulation

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arxiv 2306.12569 v2 pith:HR65BHKD submitted 2023-06-21 quant-ph cs.NAmath-phmath.MPmath.NAmath.OC

classification quant-phcs.NAmath-phmath.MPmath.NAmath.OC
keywords formulasmulti-producttrottererrordynamiccircuithamiltonianmethod
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Multi-product formulas (MPF) are linear combinations of Trotter circuits offering high-quality simulation of Hamiltonian time evolution with fewer Trotter steps. Here we report two contributions aimed at making multi-product formulas more viable for near-term quantum simulations. First, we extend the theory of Trotter error with commutator scaling developed by Childs, Su, Tran et al. to multi-product formulas. Our result implies that multi-product formulas can achieve a quadratic reduction of Trotter error in 1-norm (nuclear norm) on arbitrary time intervals compared with the regular product formulas without increasing the required circuit depth or qubit connectivity. The number of circuit repetitions grows only by a constant factor. Second, we introduce dynamic multi-product formulas with time-dependent coefficients chosen to minimize a certain efficiently computable proxy for the Trotter error. We use a minimax estimation method to make dynamic multi-product formulas robust to uncertainty from algorithmic errors, sampling and hardware noise. We call this method Minimax MPF and we provide a rigorous bound on its error.

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    An optimized Trotter-based quantum algorithm reduces the estimated cost of simulating X-ray absorption spectra for a Li4Mn2O cathode cluster to 100 logical qubits and 3.1e8 Toffoli gates per circuit.

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