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Published in 2019 at "Journal of Magnetism and Magnetic Materials"
DOI: 10.1016/j.jmmm.2019.165468
Abstract: Abstract We present the results of ab initio simulations of the series of intermetallic Sm–Co compounds. We show that the “open core” approach allows calculating intrinsic properties of Sm–Co compounds with sufficient accuracy for all…
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Keywords:
atom potential;
obtained force;
embedded atom;
potential compounds ... See more keywords
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Published in 2022 at "Journal of chemical theory and computation"
DOI: 10.1021/acs.jctc.3c00016
Abstract: Coarse-grained (CG) molecular simulations have become a standard tool to study molecular processes on time and length scales inaccessible to all-atom simulations. Parametrizing CG force fields to match all-atom simulations has mainly relied on force-matching…
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Keywords:
flow matching;
efficient coarse;
force matching;
matching efficient ... See more keywords
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Published in 2023 at "Frontiers in Human Neuroscience"
DOI: 10.3389/fnhum.2022.1078925
Abstract: Introduction Attention-Deficit/Hyperactivity Disorder (ADHD) is a neurodevelopmental disorder that exhibits unique neurological and behavioral characteristics. Those with ADHD often have noted impairments in motor performance and coordination, including during tasks that require force modulation. The…
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Keywords:
force matching;
novel force;
task;
motor ... See more keywords