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Andrew Shamp
Researcher at University at Buffalo
Publications - 17
Citations - 614
Andrew Shamp is an academic researcher from University at Buffalo. The author has contributed to research in topics: Density functional theory & Phosphine. The author has an hindex of 11, co-authored 17 publications receiving 505 citations. Previous affiliations of Andrew Shamp include Lawrence Livermore National Laboratory.
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Compressed Cesium Polyhydrides: Cs+ Sublattices and H3– Three-Connected Nets
TL;DR: The cesium polyhydrides (CsH(n), n > 1) are predicted to become stable, with respect to decomposition into CsH and H2, at pressures as low as 2 GPa.
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XTALOPT version r9: An open-source evolutionary algorithm for crystal structure prediction
TL;DR: A new version of XtalOpt, an evolutionary algorithm for crystal structure prediction, is available for download from the CPC library or the Xtalopt website, and incorporates many bug-fixes and new features, as detailed below.
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Superconducting High-Pressure Phases Composed of Hydrogen and Iodine.
Andrew Shamp,Eva Zurek +1 more
TL;DR: Evolutionary structure searches predict three new phases of iodine polyhydrides stable under pressure, consisting of zigzag chains of (HI)δ+ and H2 δ− molecules, and Cmcm-H2I and P6/mmm-H4I are found on the 100, 150, and 200 GPa convex hulls.
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Superconducting Phases of Phosphorus Hydride Under Pressure: Stabilization by Mobile Molecular Hydrogen
TL;DR: At 80 GPa, phases with the PH2 stoichiometry, which are composed of simple cubic like phosphorus layers capped with hydrogen atoms and layers of H2 molecules, are predicted to be important species contributing to the recently observed superconductivity in compressed phosphine.
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Superconductivity in Hydrides Doped with Main Group Elements Under Pressure
Andrew Shamp,Eva Zurek +1 more
TL;DR: A priori crystal structure prediction techniques have been used to explore the phase diagrams of hydrides of main group elements under pressure as discussed by the authors, and a number of novel phases with the chemical formulas MHn, n > 1 and M = Li, Na, K, Rb, Cs; MHn n > 2 and M= Mg, Ca, Sr, Ba; HnI with n >1 and PH, PH2, PH3 have been predicted to be stable at pressures achievable in diamond anvil cells.