Quantum Computation of Hydrogen Bond Dynamics and Vibrational Spectra.

Calculating observable properties of chemical systems is often classically intractable and widely viewed as a promising application of quantum information processing. Here, we introduce a new framework for solving generic quantum chemical dynamics problems using quantum logic. We experimentally demonstrate a proof-of-principle instance of our method using the QSCOUT ion-trap quantum computer, where we experimentally drive the ion-trap system to emulate the quantum wavepacket dynamics corresponding to the shared-proton within an anharmonic hydrogen bonded system. Following the experimental creation and propagation of the shared-proton wavepacket on the ion-trap, we extract measurement observables such as its time-dependent spatial projection and its characteristic vibrational frequencies to spectroscopic accuracy (3.3 cm-1 wavenumbers, corresponding to >99.9% fidelity). Our approach introduces a new paradigm for studying the chemical dynamics and vibrational spectra of molecules and opens the possibility to describe the behavior of complex molecular processes with unprecedented accuracy.

1D to 3D Crossover of a Spin-Imbalanced Fermi Gas.

We have characterized the one-dimensional (1D) to three-dimensional (3D) crossover of a two-component spin-imbalanced Fermi gas of ^{6}Li atoms in a 2D optical lattice by varying the lattice tunneling and the interactions. The gas phase separates, and we detect the phase boundaries using in situ imaging of the inhomogeneous density profiles. The locations of the phases are inverted in 1D as compared to 3D, thus providing a clear signature of the crossover. By scaling the tunneling rate t with respect to the pair binding energy ε_{B}, we observe a collapse of the data to a universal crossover point at a scaled tunneling value of t[over ˜]_{c}=0.025(7).