Introduction to Special Section on Microcosms in Ice: The Biogeochemistry of Cryoconite Holes

Cryoconite holes are small, water filled, cylindrical melt-holes on glacial ice surface. Cryoconite, \u27cold dust,\u27 refers to the thin layer of sediment at the hole bottom. The holes form from surficial sediment patches that absorbs more solar radiation than the surrounding ice and which preferentially melt into the glacier forming a cylindrical water-filled hole. These holes form on the ice-covered, as opposed to snow covered, parts of glaciers world-wide, wherever there is sufficient energy for melting. Biogeochemically, cryoconite holes are interesting because the sediment is inncoculated with biologic material, a fraction of which thrives in the cryoconite environment of near-freezing waters and limited nutrient supply. The holes are thus oases for microbial life and biologically mediated chemical reactions on otherwise relatively inert glacier surfaces. Examining the chemical evolution of waters in cryoconite holes, showing how biogeochemical processes in cryoconite holes lead to increasing concentrations of dissolved organic carbon over time, which in may enhance adsorption of solar radiation by the water, aiding the development of deeper holes. If this is true, it suggests that there are a number of complex interactions between the biology, chemistry and biology of cryoconite holes, which act in concert to maintain life on glacier surfaces

Implementation of Measurement Reduction for the Variational Quantum Eigensolver

One limitation of the variational quantum eigensolver algorithm is the large number of measurement steps required to estimate different terms in the Hamiltonian of interest. Unitary partitioning reduces this overhead by transforming the problem Hamiltonian into one containing fewer terms. We explore two different circuit constructions of the transformation required - one built by a sequence of rotations and the other a linear combination of unitaries (LCU). To assess performance, we simulated chemical Hamiltonians and studied the ground states of H2 and LiH. Both implementations are successful even in the presence of noise. The sequence of rotations realization offers the greatest benefit to calculations, whereas the probabilistic nature of LCU reduces its effectiveness. To our knowledge, this work also demonstrates the first experimental implementation of LCU on quantum hardware.Comment: Revised order of paper, and further background details about the LCU method added. A unary implementation of LCU is also explored. Results unchange

Ice sheets as a significant source of highly reactive nanoparticulate iron to the oceans

The Greenland and Antarctic Ice Sheets cover ~\n10% of global land surface, but are rarely considered as active components of the global iron cycle. The ocean waters around both ice sheets harbour highly productive coastal ecosystems, many of which are iron limited. Measurements of iron concentrations in subglacial runoff from a large Greenland Ice Sheet catchment reveal the potential for globally significant export of labile iron fractions to the near-coastal euphotic zone. We estimate that the flux of bioavailable iron associated with glacial runoff is 0.40–2.54?Tg per year in Greenland and 0.06–0.17?Tg per year in Antarctica. Iron fluxes are dominated by a highly reactive and potentially bioavailable nanoparticulate suspended sediment fraction, similar to that identified in Antarctic icebergs. Estimates of labile iron fluxes in meltwater are comparable with aeolian dust fluxes to the oceans surrounding Greenland and Antarctica, and are similarly expected to increase in a warming climate with enhanced melting

A comparison of the Bravyi-Kitaev and Jordan-Wigner transformations for the quantum simulation of quantum chemistry

The ability to perform classically intractable electronic structure calculations is often cited as one of the principal applications of quantum computing. A great deal of theoretical algorithmic development has been performed in support of this goal. Most techniques require a scheme for mapping electronic states and operations to states of and operations upon qubits. The two most commonly used techniques for this are the Jordan-Wigner transformation and the Bravyi-Kitaev transformation. However, comparisons of these schemes have previously been limited to individual small molecules. In this paper we discuss resource implications for the use of the Bravyi-Kitaev mapping scheme, specifically with regard to the number of quantum gates required for simulation. We consider both small systems which may be simulatable on near-future quantum devices, and systems sufficiently large for classical simulation to be intractable. We use 86 molecular systems to demonstrate that the use of the Bravyi-Kitaev transformation is typically at least approximately as efficient as the canonical Jordan-Wigner transformation, and results in substantially reduced gate count estimates when performing limited circuit optimisations.Comment: 46 pages, 11 figure

A Stabilizer Framework for the Contextual Subspace Variational Quantum Eigensolver and the Noncontextual Projection Ansatz

Quantum chemistry is a promising application for noisy intermediate-scale quantum (NISQ) devices. However, quantum computers have thus far not succeeded in providing solutions to problems of real scientific significance, with algorithmic advances being necessary to fully utilize even the modest NISQ machines available today. We discuss a method of ground state energy estimation predicated on a partitioning of the molecular Hamiltonian into two parts: one that is noncontextual and can be solved classically, supplemented by a contextual component that yields quantum corrections obtained via a Variational Quantum Eigensolver (VQE) routine. This approach has been termed Contextual Subspace VQE (CS-VQE); however, there are obstacles to overcome before it can be deployed on NISQ devices. The problem we address here is that of the ansatz, a parametrized quantum state over which we optimize during VQE; it is not initially clear how a splitting of the Hamiltonian should be reflected in the CS-VQE ansätze. We propose a "noncontextual projection" approach that is illuminated by a reformulation of CS-VQE in the stabilizer formalism. This defines an ansatz restriction from the full electronic structure problem to the contextual subspace and facilitates an implementation of CS-VQE that may be deployed on NISQ devices. We validate the noncontextual projection ansatz using a quantum simulator and demonstrate chemically precise ground state energy calculations for a suite of small molecules at a significant reduction in the required qubit count and circuit depth

A stabilizer framework for Contextual Subspace VQE and the noncontextual projection ansatz

Quantum chemistry is a promising application for noisy intermediate-scale quantum (NISQ) devices. However, quantum computers have thus far not succeeded in providing solutions to problems of real scientific significance, with algorithmic advances being necessary to fully utilise even the modest NISQ machines available today. We discuss a method of ground state energy estimation predicated on a partitioning the molecular Hamiltonian into two parts: one that is noncontextual and can be solved classically, supplemented by a contextual component that yields quantum corrections obtained via a Variational Quantum Eigensolver (VQE) routine. This approach has been termed Contextual Subspace VQE (CS-VQE), but there are obstacles to overcome before it can be deployed on NISQ devices. The problem we address here is that of the ansatz - a parametrized quantum state over which we optimize during VQE. It is not initially clear how a splitting of the Hamiltonian should be reflected in our CS-VQE ans\"atze. We propose a 'noncontextual projection' approach that is illuminated by a reformulation of CS-VQE in the stabilizer formalism. This defines an ansatz restriction from the full electronic structure problem to the contextual subspace and facilitates an implementation of CS-VQE that may be deployed on NISQ devices. We validate the noncontextual projection ansatz using a quantum simulator, with results obtained herein for a suite of trial molecules.Comment: 42 pages, 4 figure

Algal growth and weathering crust state drive variability in western Greenland Ice Sheet ice albedo

One of the primary controls upon the melting of the Greenland Ice Sheet (GrIS) is albedo, a measure of how much solar radiation that hits a surface is reflected without being absorbed. Lower-albedo snow and ice surfaces therefore warm more quickly. There is a major difference in the albedo of snow-covered versus bare-ice surfaces, but observations also show that there is substantial spatio- temporal variability of up to ∼0.4 in bare-ice albedo. Variability in bare-ice albedo has been attributed to a number of processes including the accumulation of light-absorbing impurities (LAIs) and the changing physical properties of the near-surface ice. However, the combined impact of these processes upon albedo remains poorly constrained. Here we use field observations to show that pigmented glacier algae are ubiquitous and cause surface darkening both within and outside the south-west GrIS “dark zone” but that other factors including modification of the ice surface by algal bloom presence, surface topography and weathering crust state are also important in determining patterns of daily albedo variability. We further use observations from an unmanned aerial system (UAS) to examine the scale gap in albedo between ground versus remotely sensed measurements made by Sentinel-2 (S- 2) and MODIS. S-2 observations provide a highly conservative estimate of algal bloom presence because algal blooms occur in patches much smaller than the ground resolution of S-2 data. Nevertheless, the bare-ice albedo distribution at the scale of 20 m×20 m S-2 pixels is generally unimodal and unskewed. Conversely, bare-ice surfaces have a left-skewed albedo distribution at MODIS MOD10A1 scales. Thus, when MOD10A1 observations are used as input to energy balance modelling, meltwater production can be underestimated by ∼2  %. Our study highlights that (1) the impact of the weathering crust state is of similar importance to the direct darkening role of light-absorbing impurities upon ice albedo and (2) there is a spatial-scale dependency in albedo measurement which reduces detection of real changes at coarser resolutions

Algal growth and weathering crust state drive variability in western Greenland Ice Sheet ice albedo

One of the primary controls upon the melting of the Greenland Ice Sheet (GrIS) is albedo, a measure of how much solar radiation that hits a surface is reflected without being absorbed. Lower-albedo snow and ice surfaces therefore warm more quickly. There is a major difference in the albedo of snow-covered versus bare-ice surfaces, but observations also show that there is substantial spatio- temporal variability of up to ∼0.4 in bare-ice albedo. Variability in bare-ice albedo has been attributed to a number of processes including the accumulation of light-absorbing impurities (LAIs) and the changing physical properties of the near-surface ice. However, the combined impact of these processes upon albedo remains poorly constrained. Here we use field observations to show that pigmented glacier algae are ubiquitous and cause surface darkening both within and outside the south-west GrIS “dark zone” but that other factors including modification of the ice surface by algal bloom presence, surface topography and weathering crust state are also important in determining patterns of daily albedo variability. We further use observations from an unmanned aerial system (UAS) to examine the scale gap in albedo between ground versus remotely sensed measurements made by Sentinel-2 (S- 2) and MODIS. S-2 observations provide a highly conservative estimate of algal bloom presence because algal blooms occur in patches much smaller than the ground resolution of S-2 data. Nevertheless, the bare-ice albedo distribution at the scale of 20 m×20 m S-2 pixels is generally unimodal and unskewed. Conversely, bare-ice surfaces have a left-skewed albedo distribution at MODIS MOD10A1 scales. Thus, when MOD10A1 observations are used as input to energy balance modelling, meltwater production can be underestimated by ∼2  %. Our study highlights that (1) the impact of the weathering crust state is of similar importance to the direct darkening role of light-absorbing impurities upon ice albedo and (2) there is a spatial-scale dependency in albedo measurement which reduces detection of real changes at coarser resolutions