Zobrazeno 1 - 10
of 91
pro vyhledávání: '"Alessandri, Riccardo"'
Autor:
Ley-Flores, Maria, Alessandri, Riccardo, Najmi, Sean, Valsecchi, Michele, Jackson, George, Galindo, Amparo, Korley, LaShanda, Vlachos, Dionisios G., de Pablo, Juan J.
The thermodynamics and transport properties of polymeric materials are essential for the design of reactors and for the development of polymer deconstruction processes. Existing property prediction tools such as correlations based on entropy scaling,
Externí odkaz:
http://arxiv.org/abs/2404.09676
Autor:
Ley-Flores, Maria, Chabbi, Archit, Alessandri, Riccardo, Marsden, Sam, Vettese, Isabella, Rowan, Stuart J., de Pablo, Juan J.
There is considerable interest in designing new polymeric materials with built-in mechanisms for recycling. In this work, we present a systematic exploration of several polyethylene-based polymers that contain strategically incorporated cleavable bon
Externí odkaz:
http://arxiv.org/abs/2404.09341
Autor:
Rico, Pablo F. Zubieta, Schneider, Ludwig, Pérez-Lemus, Gustavo R., Alessandri, Riccardo, Dasetty, Siva, Menéndez, Cintia A., Wu, Yiheng, Jin, Yezhi, Xu, Yinan, Nguyen, Trung D., Parker, John A., Ferguson, Andrew L., Whitmer, Jonathan K., de Pablo, Juan J.
Molecular simulations are an important tool for research in physics, chemistry, and biology. The capabilities of simulations can be greatly expanded by providing access to advanced sampling methods and techniques that permit calculation of the releva
Externí odkaz:
http://arxiv.org/abs/2301.04835
The properties of soft electronic materials depend on the coupling of electronic and conformational degrees of freedom over a wide range of spatiotemporal scales. Description of such properties requires multiscale approaches capable of, at the same t
Externí odkaz:
http://arxiv.org/abs/2209.02072
Autor:
Grünewald, Fabian, Alessandri, Riccardo, Kroon, Peter C., Monticelli, Luca, Souza, Paulo C. T., Marrink, Siewert J.
Molecular dynamics simulations play an increasingly important role in the rational design of (nano)-materials and in the study of biomacromolecules. However, generating input files and realistic starting coordinates for these simulations is a major b
Externí odkaz:
http://arxiv.org/abs/2105.05890
The Martini model, a coarse-grained force field initially developed with biomolecular simulations in mind, has found an increasing number of applications in the field of soft materials science. The model's underlying building block principle does not
Externí odkaz:
http://arxiv.org/abs/2012.07194
Akademický článek
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Akademický článek
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Autor:
Alessandri, Riccardo, Li, Cheng-Han, Keating, Sheila, Mohanty, Khirabdhi T., Peng, Aaron, Lutkenhaus, Jodie L., Rowan, Stuart J., Tabor, Daniel P., de Pablo, Juan J.
Publikováno v:
JACS Au; June 2024, Vol. 4 Issue: 6 p2300-2311, 12p
Autor:
Alessandri, Riccardo1 (AUTHOR) ric.alessandri@gmail.com, Barnoud, Jonathan1 (AUTHOR), Gertsen, Anders S.2 (AUTHOR), Patmanidis, Ilias1 (AUTHOR), de Vries, Alex H.1 (AUTHOR), Souza, Paulo C. T.1 (AUTHOR) paulocts@gmail.com, Marrink, Siewert J.1 (AUTHOR) s.j.marrink@rug.nl
Publikováno v:
Advanced Theory & Simulations. Jan2022, Vol. 5 Issue 1, p1-19. 19p.