Articles with "accurate predictions" as a keyword



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Addiction as a brain disease does not promote injustice

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Published in 2017 at "Nature Human Behaviour"

DOI: 10.1038/s41562-017-0203-5

Abstract: To the Editor — The recent World View by Carl Hart, ‘Viewing addiction as a brain disease promotes social injustice’1, raises important questions. Is addiction a brain disease? Does this view of addiction promote discrimination?… read more here.

Keywords: disease; brain disease; brain; accurate predictions ... See more keywords
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Accurate predictions of thermoset resin glass transition temperatures from all-atom molecular dynamics simulation.

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Published in 2022 at "Soft matter"

DOI: 10.1039/d2sm00851c

Abstract: To enable the design and development of the next generation of high-performance composite materials, there is a need to establish improved computational simulation protocols for accurate and efficient prediction of physical, mechanical, and thermal properties… read more here.

Keywords: glass transition; molecular dynamics; prediction; simulation ... See more keywords
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More Is Not Always Better: Local Models Provide Accurate Predictions of Spectral Properties of Porphyrins

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Published in 2022 at "International Journal of Molecular Sciences"

DOI: 10.3390/ijms23031201

Abstract: The development of new functional materials based on porphyrins requires fast and accurate prediction of their spectral properties. The available models in the literature for absorption wavelength and extinction coefficient of the Soret band have… read more here.

Keywords: better local; extinction coefficient; always better; local models ... See more keywords