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Results: 417
Macromolecular ab initio phasing enforcing secondary and tertiary structure.
Ab initio phasing of macromolecular structures, from the native intensities alone with no experimental phase information or previous particular structural knowledge, has been the object of a long quest, limited by two main...
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Oxidation of GaN
Adam Jackson, A Walsh
Jan 01, 0001

GaN is a wide-band-gap semiconductor used in high-efficiency light-emitting diodes and solar cells. The solid is produced industrially at high chemical purities by deposition from a vapor phase, and oxygen may be included at...

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Oxidation of GaN
Adam Jackson, A Walsh
Jan 01, 0001

GaN is a wide-band-gap semiconductor used in high-efficiency light-emitting diodes and solar cells. The solid is produced industrially at high chemical purities by deposition from a vapor phase, and oxygen may be included at...

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Ab Initio Approach and Its Impact on Superconductivity
D Duan, H Yu, H Xie, T Cui
Oct 26, 2018
One of the main motivations for studying superconductivity is to search for high temperature superconductors, especially, room temperature superconductors. During the long history of more than 100 years since the discovery of...
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Two-dimensional electron gas at the PbTi O3/SrTi O3 interface
In the polar catastrophe scenario, polar discontinuity accounts for the driving force of the formation of a two-dimensional electron gas (2DEG) at the interface between polar and nonpolar insulators. In this paper, we substitute...
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Ab initio molecular-dynamics simulation of neuromorphic computing in phase-change memory materials
We present an in silico study of the neuromorphic-computing behavior of the prototypical phase-change material, Ge2Sb2Te5, using ab initio molecular-dynamics simulations. Stepwise changes in structural order in response to...
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Ab initio molecular-dynamics simulation of neuromorphic computing in phase-change memory materials
We present an in silico study of the neuromorphic-computing behavior of the prototypical phase-change material, Ge2Sb2Te5, using ab initio molecular-dynamics simulations. Stepwise changes in structural order in response to...
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Ab initio derivation of Hubbard models for cold atoms in optical lattices
We derive ab initio local Hubbard models for several optical lattice potentials of current interest, including the honeycomb and Kagom\'{e} lattices, verifying their accuracy on each occasion by comparing the interpolated band...
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Ab initio derivation of Hubbard models for cold atoms in optical lattices
We derive ab initio local Hubbard models for several optical lattice potentials of current interest, including the honeycomb and Kagom\'{e} lattices, verifying their accuracy on each occasion by comparing the interpolated band...
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A monoclonal antibody specific for mouse dendritic cells
Dendritic cells (DC) are a small subpopulation of lymphoid cells with distinctive cytologic features, surface properties, and functions. This report describes the DC-specific antibody (Ab) secreted by clone 33D1. Rat spleen...
Published by: Rockefeller University
Investigating the efficacy of attention bias modification in reducing high spider fear
Attention Bias Modification (ABM) targets attention bias (AB) towards threat and is a potential therapeutic intervention for anxiety. The current study investigated whether initial AB (towards or away from spider images)...
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Machine learning model for sequence-driven DNA G-quadruplex formation.
We describe a sequence-based computational model to predict DNA G-quadruplex (G4) formation. The model was developed using large-scale machine learning from an extensive experimental G4-formation dataset, recently obtained for...
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Investigating the efficacy of attention bias modification in reducing high spider fear
Attention Bias Modification (ABM) targets attention bias (AB) towards threat and is a potential therapeutic intervention for anxiety. The current study investigated whether initial AB (towards or away from spider images)...
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