Results 31 to 40 of about 25,273 (241)
System for Automatic Processing and Analysis of MRI/fMRI Data on the Kurchatov Institute Supercomputer [PDF]
EPJ Web of Conferences, 2020 This paper presents the Computer Model of the System for Automatic Processing and Analysis of MRI/fMRI tomography data, obtained at the Kurchatov Institute Resource Center “Cognimed”.
Enyagina Irina M. +3 more
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Understanding Decoherence of the Boron Vacancy Center in Hexagonal Boron Nitride
Advanced Functional Materials, EarlyView.State‐of‐the‐art computations unravel the intricate decoherence dynamics of the boron vacancy center in hexagonal boron nitride across magnetic fields from 0 to 3 T. Five distinct regimes emerge, dominated by nuclear spin interactions, revealing optimal coherence times of 1–20 µs in the 180–350 mT range for isotopically pure samples.
András Tárkányi, Viktor Ivády
wiley +1 more source
Frontiers in Bioscience-Landmark, 2022 Background: In the current COVID-19 pandemic, with an absence of approved drugs and widely accessible vaccines, repurposing existing drugs is vital to quickly developing a treatment for the disease. Methods: In this study, we used a dataset consisting of
Shayan K. Azmoodeh +2 more
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Advanced Functional Materials, EarlyView.Na‐ion batteries ‐ Impact of doping on the oxygen redox: The sloping potential of NaMg0.1Ni0.4Mn0.5O2 above 4.0 V is caused by a new redox center (arising from the ‘O bound to Mg’), having a higher potential but being more irreversible compared to the ‘O bound to Ni’.
Yongchun Li +12 more
wiley +1 more source
Segment Switching: A New Switching Strategy for Optical HPC Networks
IEEE Access, 2021 Photonics are becoming realistic technologies for implementing interconnection networks in near future Exascale supercomputer systems. Photonics present key features to design high-performance and scalable supercomputer networks, such as higher bandwidth
Jose Duro +3 more
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Potential COVID-19 papain-like protease PLpro inhibitors: repurposing FDA-approved drugs [PDF]
PeerJ, 2020 Using the crystal structure of SARS-CoV-2 papain-like protease (PLpro) as a template, we developed a pharmacophore model of functional centers of the PLpro inhibitor-binding pocket. With this model, we conducted data mining of the conformational database
Valentina L. Kouznetsova +4 more
doaj +2 more sources
Does a Morphotropic Phase Boundary Exist in ZrxHf1‐xO2‐Based Thin Films?
Advanced Functional Materials, EarlyView.This study investigates 6 nm zirconium‐rich hafnium‐zirconium oxide thin–film metal–insulator–metal capacitors using a combination of experimental methods and machine learning–based molecular dynamics simulations to provide insight into the physical mechanisms that enhance the dielectric constant near 0 V and attribute it to the field‐induced ...
Pramoda Vishnumurthy +9 more
wiley +1 more source
Advanced Functional Materials, EarlyView.Lipid nanoparticles containing messenger RNA are characterized by sedimentation velocity analytical ultracentrifugation using UltraScan's new Custom Grid algorithm to provide multi‐dimensional distributions for partial specific volume (particle density), molar mass, sedimentation, diffusion, and hydrodynamic radius.
Sophia Bird +8 more
wiley +1 more source
Chiral SURMOFs for Vibrational Circular Dichroism: Multiscale Modeling and Experimental Insights
Advanced Functional Materials, EarlyView.The use of solid‐state vibrational circular dichroism (VCD) for MOFs is still somewhat unexplored, and in this work, it is shown that chiral surface‐anchored MOFs (SURMOFs) grown on CaF2 provide an excellent platform for VCD. Experimental results are validated through multiscale modeling, showing strong agreement across multiple spectroscopic ...
Ana C. Fingolo +9 more
wiley +1 more source
Экономика региона, 2021 In order to сover a more wide thematic audience of the journal Economy of Regiona, the authors Okrepilov V. V., Makarov V. L., Bakhtizin A. R., Kuzmina S. N. of the paper Application of Supercomputer Technologies for Simulation Of Socio-Economic Systems,
doaj +1 more source