Zobrazeno 1 - 10
of 499
pro vyhledávání: '"Keten, Sinan"'
Matrix-free nanocomposites made from polymer grafted nanoparticles (PGN) represent a paradigm shift in materials science because they greatly improve nanoparticle dispersion and offer greater tunability over rheological and mechanical properties in c
Externí odkaz:
http://arxiv.org/abs/2303.05363
Autor:
Fu, Xiang, Wu, Zhenghao, Wang, Wujie, Xie, Tian, Keten, Sinan, Gomez-Bombarelli, Rafael, Jaakkola, Tommi
Publikováno v:
Transactions on Machine Learning Research, 2023
Molecular dynamics (MD) simulation techniques are widely used for various natural science applications. Increasingly, machine learning (ML) force field (FF) models begin to replace ab-initio simulations by predicting forces directly from atomic struc
Externí odkaz:
http://arxiv.org/abs/2210.07237
Increased ability to predict protein structures is moving research focus towards understanding protein dynamics. A promising approach is to represent protein dynamics through networks and take advantage of well-developed methods from network science.
Externí odkaz:
http://arxiv.org/abs/2203.08387
Publikováno v:
npj Comput Mater 7, 168 (2021)
A persistent challenge in predictive molecular modeling of thermoset polymers is to capture the effects of chemical composition and degree of crosslinking (DC) on dynamical and mechanical properties with high computational efficiency. We established
Externí odkaz:
http://arxiv.org/abs/2105.05697
Publikováno v:
Journal of Chemical Physics; 4/7/2024, Vol. 160 Issue 13, p1-13, 13p
Polymeric films with greater impact and ballistic resistance are highly desired for numerous applications, but molecular configurations that best address this need remain subject to debate. We study the resistance to ballistic impact of thin polymer
Externí odkaz:
http://arxiv.org/abs/2009.12288
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Publikováno v:
In Carbon November 2023 215
Publikováno v:
In Patterns 8 September 2023 4(9)