Hamiltonian simulation with nearly optimal dependence on all parameters

We present an algorithm for sparse Hamiltonian simulation whose complexity is optimal (up to log factors) as a function of all parameters of interest. Previous algorithms had optimal or near-optimal scaling in some parameters at the cost of poor scaling in others. Hamiltonian simulation via a quantum walk has optimal dependence on the sparsity at the expense of poor scaling in the allowed error. In contrast, an approach based on fractional-query simulation provides optimal scaling in the error at the expense of poor scaling in the sparsity. Here we combine the two approaches, achieving the best features of both. By implementing a linear combination of quantum walk steps with coefficients given by Bessel functions, our algorithm's complexity (as measured by the number of queries and 2-qubit gates) is logarithmic in the inverse error, and nearly linear in the product $\tau$ of the evolution time, the sparsity, and the magnitude of the largest entry of the Hamiltonian. Our dependence on the error is optimal, and we prove a new lower bound showing that no algorithm can have sublinear dependence on $\tau$.Comment: 21 pages, corrects minor error in Lemma 7 in FOCS versio

Energy-scales convergence for optimal and robust quantum transport in photosynthetic complexes

Underlying physical principles for the high efficiency of excitation energy transfer in light-harvesting complexes are not fully understood. Notably, the degree of robustness of these systems for transporting energy is not known considering their realistic interactions with vibrational and radiative environments within the surrounding solvent and scaffold proteins. In this work, we employ an efficient technique to estimate energy transfer efficiency of such complex excitonic systems. We observe that the dynamics of the Fenna-Matthews-Olson (FMO) complex leads to optimal and robust energy transport due to a convergence of energy scales among all important internal and external parameters. In particular, we show that the FMO energy transfer efficiency is optimum and stable with respect to the relevant parameters of environmental interactions and Frenkel-exciton Hamiltonian including reorganization energy $\lambda$, bath frequency cutoff $\gamma$, temperature $T$, bath spatial correlations, initial excitations, dissipation rate, trapping rate, disorders, and dipole moments orientations. We identify the ratio of \lambda T/\gamma\*g as a single key parameter governing quantum transport efficiency, where g is the average excitonic energy gap.Comment: minor revisions, removing some figures, 19 pages, 19 figure

Hamiltonian Simulation by Qubitization

We present the problem of approximating the time-evolution operator $e^{-i\hat{H}t}$ to error $\epsilon$, where the Hamiltonian $\hat{H}=(\langle G|\otimes\hat{\mathcal{I}})\hat{U}(|G\rangle\otimes\hat{\mathcal{I}})$ is the projection of a unitary oracle $\hat{U}$ onto the state $|G\rangle$ created by another unitary oracle. Our algorithm solves this with a query complexity $\mathcal{O}\big(t+\log({1/\epsilon})\big)$ to both oracles that is optimal with respect to all parameters in both the asymptotic and non-asymptotic regime, and also with low overhead, using at most two additional ancilla qubits. This approach to Hamiltonian simulation subsumes important prior art considering Hamiltonians which are $d$-sparse or a linear combination of unitaries, leading to significant improvements in space and gate complexity, such as a quadratic speed-up for precision simulations. It also motivates useful new instances, such as where $\hat{H}$ is a density matrix. A key technical result is `qubitization', which uses the controlled version of these oracles to embed any $\hat{H}$ in an invariant $\text{SU}(2)$ subspace. A large class of operator functions of $\hat{H}$ can then be computed with optimal query complexity, of which $e^{-i\hat{H}t}$ is a special case.Comment: 23 pages, 1 figure; v2: updated notation; v3: accepted versio