Resource-Efficient Chemistry on Quantum Computers with the Variational Quantum Eigensolver and the Double Unitary Coupled-Cluster Approach.

Applications of quantum simulation algorithms to obtain electronic energies of molecules on noisy intermediate-scale quantum (NISQ) devices require careful consideration of resources describing the complex electron correlation effects. In modeling second-quantized problems, the biggest challenge confronted is that the number of qubits scales linearly with the size of the molecular basis. This poses a significant limitation on the size of the basis sets and the number of correlated electrons included in quantum simulations of chemical processes. To address this issue and enable more realistic simulations on NISQ computers, we employ the double unitary coupled-cluster (DUCC) method to effectively downfold correlation effects into the reduced-size orbital space, commonly referred to as the active space. Using downfolding techniques, we demonstrate that properly constructed effective Hamiltonians can capture the effect of the whole orbital space in small-size active spaces. Combining the downfolding preprocessing technique with the variational quantum eigensolver, we solve for the ground-state energy of H2, Li2, and BeH2 in the cc-pVTZ basis using the DUCC-reduced active spaces. We compare these results to full configuration-interaction and high-level coupled-cluster reference calculations

A New Supersymmetric Compactification of Chiral IIB Supergravity

We present a new compactification of chiral, N=2 ten-dimensional supergravity down to five dimensions and show that it corresponds to the N=2 supersymmetric critical point of five-dimensional, N=8 gauged supergravity found in [KPW]. This solution presented here is of particular significance because it involves non-zero tensor gauge fields and, via the AdS/CFT correspondence, is dual to the non-trivial N=1 supersymmetric fixed point of N=4 Yang-Mills theory.Comment: 14 pages, references added, some typos correcte

Error-proof programmable self-assembly of DNA-nanoparticle clusters

We study theoretically a new generic scheme of programmable self-assembly of nanoparticles into clusters of desired geometry. The problem is motivated by the feasibility of highly selective DNA-mediated interactions between colloidal particles. By analyzing both a simple generic model and a more realistic description of a DNA-colloidal system, we demonstrate that it is possible to suppress the glassy behavior of the system, and to make the self-assembly nearly error-proof. This regime requires a combination of stretchable interparticle linkers (e.g. sufficiently long DNA), and a soft repulsive potential. The jamming phase diagram and the error probability are computed for several types of clusters. The prospects for the experimental implementation of our scheme are also discussed. PACS numbers: 81.16.Dn, 87.14.Gg, 36.40.EiComment: 6 pages, 4 figures, v2: substantially revised version, added journal re

New Vacua of Gauged N=8 Supergravity

We analyze a particular SU(2) invariant sector of the scalar manifold of gauged N=8 supergravity in five dimensions, and find all the critical points of the potential within this sector. The critical points give rise to Anti-de Sitter vacua, and preserve at least an SU(2) gauge symmetry. Consistent truncation implies that these solutions correspond to Anti-de Sitter compactifications of IIB supergravity, and hence to possible near-horizon geometries of 3-branes. Thus we find new conformal phases of softly broken N=4 Yang--Mills theory. One of the critical points preserves N=2 supersymmetry in the bulk and is therefore completely stable, and corresponds to an N=1 superconformal fixed point of the Yang--Mills theory. The corresponding renormalization group flow from the N=4 point has c_{IR}/c_{UV} = 27/32. We also discuss the ten-dimensional geometries corresponding to these critical points.Comment: 14 pages, 1 table, harvma

Cx26 keratitis ichthyosis deafness syndrome mutations trigger alternative splicing of Cx26 to prevent expression and cause toxicity in vitro

The Cx26 mRNA has not been reported to undergo alternative splicing. In expressing a series of human keratitis ichthyosis deafness (KID) syndrome mutations of Cx26 (A88V, N14K and A40V), we found the production of a truncated mRNA product. These mutations, although not creating a cryptic splice site, appeared to activate a pre-existing cryptic splice site. The alternative splicing of the mutant Cx26 mRNA could be prevented by mutating the predicted 3′, 5′ splice sites and the branch point. The presence of a C-terminal fluorescent protein tag (mCherry or Clover) was necessary for this alternative splicing to occur. Strangely, Cx26A88V could cause the alternative splicing of co-expressed WT Cx26—suggesting a trans effect. The alternative splicing of Cx26A88V caused cell death, and this could be prevented by the 3′, 5′ and branch point mutations. Expression of the KID syndrome mutants could be rescued by combining them with removal of the 5′ splice site. We used this strategy to enable expression of Cx26A40V-5′ and demonstrate that this KID syndrome mutation removed CO2 sensitivity from the Cx26 hemichannel. This is the fourth KID syndrome mutation found to abolish the CO2-sensitivity of the Cx26 hemichannel, and suggests that the altered CO­2-sensitivity could contribute to the pathology of this mutation. Future research on KID syndrome mutations should take care to avoid using a C-terminal tag to track cellular localization and expression or if this is unavoidable, combine this mutation with removal of the 5′ splice site

Statistical Mechanics of DNA-Mediated Colloidal Aggregation

We present a statistical mechanical model of aggregation in colloidal systems with DNA mediated interactions. We obtain a general result for the two-particle binding energy in terms of the hybridization free energy $\Delta G$ of DNA and two model dependent properties: the average number of available DNA bridges \left and the effective DNA conccentration $c_{eff}$. We calculate these parameters for a particular DNA bridging scheme. The fraction of all the $n$-mers, including the infinite aggregate, are shown to be universal functions of a single parameter directly related to the two-particle binding energy. We explicitly take into account the partial ergodicity of the problem resulting from the slow DNA binding-unbinding dynamics, and introduce the concept of angular localization of DNA linkers. In this way, we obtain a direct link between DNA thermodynamics and the global aggregation and melting properties in DNA-colloidal systems. The results of the theory are shown to be in quantitative agreement with two recent experiments with particles of micron and nanometer size. PACS numbers: 81.16.Dn, 82.20.Db, 68.65.-k, 87.14.GgComment: 12 pages, 6 figures, v2: added reference, expanded conclusion, added journal re

An upper limit to the dry merger rate at <z> ~ 0.55

We measure the fraction of Luminous Red Galaxies (LRGs) in dynamically close pairs (with projected separation less than 20 $h^{-1}$ kpc and velocity difference less than 500 km s$^{-1}$) to estimate the dry merger rate for galaxies with $-23 < M(r)_{k+e,z=0.2} +5 \log h < -21.5$ and $0.45 < z < 0.65$ in the 2dF-SDSS LRG and QSO (2SLAQ) redshift survey. For galaxies with a luminosity ratio of $1:4$ or greater we determine a $5\sigma$ upper limit to the merger fraction of 1.0% and a merger rate of $< 0.8 \times 10^{-5}$ Mpc$^{-3}$ Gyr$^{-1}$ (assuming that all pairs merge on the shortest possible timescale set by dynamical friction). This is significantly smaller than predicted by theoretical models and suggests that major dry mergers do not contribute to the formation of the red sequence at $z < 0.7$.Comment: 8 pages emulateapj style, 3 figures, accepted by AJ (March 2010

The Two-Point Correlation of 2QZ Quasars and 2SLAQ LRGs: From a Quasar Fueling Perspective

Public data from the 2dF quasar survey (2QZ) and 2dF/SDSS LRG & QSO (2SLAQ), with their vast reservoirs of spectroscopically located and identified sources, afford us the chance to more accurately study their real space correlations in the hopes of identifying the physical processes that trigger quasar activity. We have used these two public databases to measure the projected cross correlation, $\omega_p$, between quasars and luminous red galaxies. We find the projected two-point correlation to have a fitted clustering radius of $r_0, = 5.3 \pm 0.6$ and a slope, $\gamma =1.83 \pm 0.42$ on scales from 0.7-27$h^{-1}$Mpc. We attempt to understand this strong correlation by separating the LRG sample into 2 populations of blue and red galaxies. We measure at the cross correlation with each population. We find that these quasars have a stronger correlation amplitude with the bluer, more recently starforming population in our sample than the redder passively evolving population, which has a correlation that is much more noisy and seems to flatten on scales $< 5h^{-1}$Mpc. We compare this result to published work on hierarchical models. The stronger correlation of bright quasars with LRGs that have undergone a recent burst of starformation suggests that the physical mechanisms that produce both activities are related and that minor mergers or tidal effects may be important triggers of bright quasar activity and/or that bright quasars are less highly biased than faint quasars.Comment: Accepted for publication in Ap