Zobrazeno 1 - 4
of 4
pro vyhledávání: '"J. N. Glosli"'
Autor:
L. G. Stanton, T. Oppelstrup, T. S. Carpenter, H. I. Ingólfsson, M. P. Surh, F. C. Lightstone, J. N. Glosli
Publikováno v:
Physical Review Research, Vol 5, Iss 1, p 013080 (2023)
We present a continuum model trained on molecular dynamics (MD) simulations for cellular membranes composed of an arbitrary number of lipid types. The model is constructed within the formalism of dynamic density functional theory and can be extended
Externí odkaz:
https://doaj.org/article/a2a0d3c2b11740619b760e6c25c21091
Publikováno v:
Physical Review X, Vol 8, Iss 2, p 021044 (2018)
Modeling matter across large length scales and timescales using molecular dynamics simulations poses significant challenges. These challenges are typically addressed through the use of precomputed pair potentials that depend on thermodynamic properti
Externí odkaz:
https://doaj.org/article/dbe33db3a8f24d83b9d13da461551980
Autor:
L. G. Stanton, T. Oppelstrup, T. S. Carpenter, H. I. Ingólfsson, M. P. Surh, F. C. Lightstone, J. N. Glosli
We present a continuum model trained on molecular dynamics (MD) simulations for cellular membranes composed of an arbitrary number of lipid types. The model is constructed within the formalism of dynamic density functional theory and can be extended
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::3ace4f0b665f509fd49407d47c9af438
http://arxiv.org/abs/2112.08651
http://arxiv.org/abs/2112.08651
Autor:
J. N. Glosli, J. A. Viecelli
Publikováno v:
The Journal of Chemical Physics. 117:11352-11358
Molecular dynamics simulations of the dissociation of methane, ethylene, and benzene at 50 GPa show that thermally activated carbon–carbon bond breaking produces a stationary n−5/2 distribution of short-lived n-atom carbon chains. Chain fragmenta
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::483844147f162b61438ee1d719bef832
https://doi.org/10.1063/1.1522395
https://doi.org/10.1063/1.1522395