Manual for Coupled Coherent States Code

Jeremy M. Hutson, C. Ruth Le Sueur

MOLSCAT is a general-purpose package for performing non-reactive quantum scattering calculations for atomic and molecular collisions using coupled-channel methods. Simple atom-molecule and molecule-molecule collision types are coded internally and additional ones may be handled with plug-in routines. Plug-in routines may include external magnetic, electric or photon fields (and combinations of them). Simple interaction potentials are coded internally and more complicated ones may be handled with plug-in routines. BOUND is a general-purpose package for performing calculations of bound-state energies in weakly bound atomic and molecular systems using coupled-channel methods. It solves the same sets of coupled equations as MOLSCAT, and can use the same plug-in routines if desired, but with different boundary conditions. FIELD is a development of BOUND that locates external fields at which a bound state exists with a specified energy. One important use is to locate the positions of magnetically tunable Feshbach resonance positions in ultracold collisions. The program source code is available from https://github.com/molscat/molscat

Monique Combescure, Didier Robert

Yehuda Sharf, Timothy F. Havel, David G. Cory

Control over spin dynamics has been obtained in NMR via coherent averaging, which is implemented through a sequence of RF pulses, and via quantum codes which can protect against incoherent evolution. Here, we discuss the design and implementation of quantum codes to protect against coherent evolution. A detailed example is given of a quantum code for protecting two data qubits from evolution under a weak coupling (Ising) term in the Hamiltonian, using an ``isolated'' ancilla which does not evolve on the experimental time scale. The code is realized in a three-spin system by liquid-state NMR spectroscopy on 13C-labelled alanine, and tested for two initial states. It is also shown that for coherent evolution and isolated ancillae, codes exist that do not require the ancillae to initially be in a (pseudo-)pure state. Finally, it is shown that even with non-isolated ancillae quantum codes exist which can protect against evolution under weak coupling. An example is presented for a six qubit code that protects two data spins to first order.

Dominik Köster, Maja Franz, Benjamin Zec +3 more

Quantum computing research increasingly depends on complex software stacks, yet the reproducibility of published results does not receive the priority and longevity mandated by recommendations of large international scientific bodies and best practices in software-centric systems research. In this paper, we present a combined manual and automated large-scale analysis of the reproducibility landscape in quantum computing research, quantify shortcomings, and derive actionable steps forward. We manually evaluate a curated sample of 127 papers using a five-question framework that covers code availability, environment specification, documentation, hardware description, and executability. To place these findings in a broader context, we conduct an automated large-scale screening of nearly 5000 quantum computing papers for the same reproducibility indicators. Our manual analysis reveals that only 24.4% of the sampled papers provide code artefacts, and among those, 64.5% fail to execute successfully in a clean environment. This assessment is corroborated by a large-scale automated analysis that yields a consistent code availability rate of 26.8%. Further, it shows that approximately one-third of the papers with accessible code lack machine-readable environment specifications. The results in this paper indicate that reproducibility is not yet consistently achieved in quantum computing research. In response, we outline a set of practical recommendations that address the observed failure modes and illustrate how reproducibility can be improved in practice.

Shi-Biao Zheng, Guang‐Can Guo