Strichartz estimates for the Schr\"odinger equation on polygonal domains

We prove Strichartz estimates with a loss of derivatives for the Schr\"odinger equation on polygonal domains with either Dirichlet or Neumann homogeneous boundary conditions. Using a standard doubling procedure, estimates the on polygon follow from those on Euclidean surfaces with conical singularities. We develop a Littlewood-Paley squarefunction estimate with respect to the spectrum of the Laplacian on these spaces. This allows us to reduce matters to proving estimates at each frequency scale. The problem can be localized in space provided the time intervals are sufficiently small. Strichartz estimates then follow from a result of the second author regarding the Schr\"odinger equation on the Euclidean cone.Comment: 12 page

Analyzing Machupo virus-receptor binding by molecular dynamics simulations

In many biological applications, we would like to be able to computationally predict mutational effects on affinity in protein-protein interactions. However, many commonly used methods to predict these effects perform poorly in important test cases. In particular, the effects of multiple mutations, non-alanine substitutions, and flexible loops are difficult to predict with available tools and protocols. We present here an existing method applied in a novel way to a new test case; we interrogate affinity differences resulting from mutations in a host-virus protein-protein interface. We use steered molecular dynamics (SMD) to computationally pull the machupo virus (MACV) spike glycoprotein (GP1) away from the human transferrin receptor (hTfR1). We then approximate affinity using the maximum applied force of separation and the area under the force-versus-distance curve. We find, even without the rigor and planning required for free energy calculations, that these quantities can provide novel biophysical insight into the GP1/hTfR1 interaction. First, with no prior knowledge of the system we can differentiate among wild type and mutant complexes. Moreover, we show that this simple SMD scheme correlates well with relative free energy differences computed via free energy perturbation. Second, although the static co-crystal structure shows two large hydrogen-bonding networks in the GP1/hTfR1 interface, our simulations indicate that one of them may not be important for tight binding. Third, one viral site known to be critical for infection may mark an important evolutionary suppressor site for infection-resistant hTfR1 mutants. Finally, our approach provides a framework to compare the effects of multiple mutations, individually and jointly, on protein-protein interactions.Comment: 33 pages, 8 figures, 5 table

Fuel cells - A review of government-sponsored research, 1950-1964

Handbook on fuel cell research and technolog

Quantum Error Correction on Linear Nearest Neighbor Qubit Arrays

A minimal depth quantum circuit implementing 5-qubit quantum error correction in a manner optimized for a linear nearest neighbor architecture is described. The canonical decomposition is used to construct fast and simple gates that incorporate the necessary swap operations. Simulations of the circuit's performance when subjected to discrete and continuous errors are presented. The relationship between the error rate of a physical qubit and that of a logical qubit is investigated with emphasis on determining the concatenated error correction threshold.Comment: 4 pages, 5 figure

Quantum computing with nearest neighbor interactions and error rates over 1%

Large-scale quantum computation will only be achieved if experimentally implementable quantum error correction procedures are devised that can tolerate experimentally achievable error rates. We describe a quantum error correction procedure that requires only a 2-D square lattice of qubits that can interact with their nearest neighbors, yet can tolerate quantum gate error rates over 1%. The precise maximum tolerable error rate depends on the error model, and we calculate values in the range 1.1--1.4% for various physically reasonable models. Even the lowest value represents the highest threshold error rate calculated to date in a geometrically constrained setting, and a 50% improvement over the previous record.Comment: 4 pages, 8 figure