Zobrazeno 1 - 8
of 8
pro vyhledávání: '"justin Petucci"'
Publikováno v:
Tuesday, April 25.
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::8f56ec7ce2742a226289e857928bf116
https://doi.org/10.1212/wnl.0000000000203063
https://doi.org/10.1212/wnl.0000000000203063
Autor:
Justin Petucci, Qiyuan Li
Publikováno v:
Practice and Experience in Advanced Research Computing.
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::8668faa98599ab0e26ba3c48580245a4
https://doi.org/10.1145/3491418.3535147
https://doi.org/10.1145/3491418.3535147
Publikováno v:
Biophysical Journal. 121:134a
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::bcc787472622bc2882adccfc625ecc53
https://doi.org/10.1016/j.bpj.2021.11.2053
https://doi.org/10.1016/j.bpj.2021.11.2053
Publikováno v:
The Journal of Physical Chemistry C. 122:20410-20418
We present the results of a combined experimental and computational study of CO2 adsorption on purified HiPco nanotubes. Isotherms were measured at six temperatures between 147 and 207 K, below the bulk triple point for CO2. Unlike the case of other
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::87b6179ac511036f34f6ada76b5ef94d
https://doi.org/10.1021/acs.jpcc.8b06156
https://doi.org/10.1021/acs.jpcc.8b06156
Publikováno v:
Computational Materials Science. 86:130-139
Molecular dynamics (MD) and molecular statics (MS) simulations of crack propagation in the presence of defects in brittle crystalline materials under mode I loading are carried out on the (0 0 1)[1 0 0] crack system using the embedded atom method (EA
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::77d66157ff48a994d4b75a42c9d4251b
https://doi.org/10.1016/j.commatsci.2014.01.049
https://doi.org/10.1016/j.commatsci.2014.01.049
Publikováno v:
Physical chemistry chemical physics : PCCP. 18(22)
This is a report on a study of the adsorption characteristics of ethane on aggregates of unopened dahlia-like carbon nanohorns. This sorbent presents two main groups of adsorption sites: the outside surface of individual nanohorns and deep, interstit
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::eaa53a3108d86569b675f4c4d6a0ddec
https://pubmed.ncbi.nlm.nih.gov/27218414
https://pubmed.ncbi.nlm.nih.gov/27218414
Publikováno v:
The Journal of Chemical Physics. 149:014702
A hydrogen atom can either physisorb or chemisorb onto a graphene surface. To describe the interaction of H with graphene, we trained the C-C, H-H, and C-H interactions of the ReaxFF CHO bond order potential to reproduce Density Functional Theory (DF
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::9a2521a7fa065bd9352d5e6822820ccf
https://doi.org/10.1063/1.5026691
https://doi.org/10.1063/1.5026691
Publikováno v:
The Journal of Chemical Physics. 139:044706
The diffusion of molecular hydrogen (H2) on a layer of graphene and in the interlayer space between the layers of graphite is studied using molecular dynamics computer simulations. The interatomic interactions were modeled by an Adaptive Intermolecul
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::7be1df10660d2c20dcee030611453fa1
https://doi.org/10.1063/1.4813919
https://doi.org/10.1063/1.4813919