Zobrazeno 1 - 8
of 8
pro vyhledávání: '"Christopher L. Hanselman"'
Autor:
Natalie M. Isenberg, Chrysanthos E. Gounaris, James Dean, Xiangyu Yin, Giannis Mpourmpakis, Christopher L. Hanselman
Publikováno v:
Molecular Systems Design & Engineering. 6:545-557
Determining the energetically most favorable structure of nanoparticles is a fundamentally important task towards understanding their stability. In the case of bimetallic nanoclusters, their vast configurational space makes it especially challenging
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::0f0d9d4e282497dd2f7fbf4e630e5d13
https://doi.org/10.1039/d1me00027f
https://doi.org/10.1039/d1me00027f
Autor:
Michael G. Taylor, Natalie M. Isenberg, Chrysanthos E. Gounaris, Giannis Mpourmpakis, Christopher L. Hanselman, Zihao Yan
Publikováno v:
Molecular Systems Design & Engineering. 5:232-244
Small nanoparticles, a.k.a. nanoclusters, of transition metals have been studied extensively for a wide range of applications due to their highly tunable properties dependent on size, structure, and composition. For these small particles, there has b
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::3e60bd917567545909da732bcfe98308
https://doi.org/10.1039/c9me00108e
https://doi.org/10.1039/c9me00108e
Publikováno v:
Journal of chemical information and modeling. 62(2)
Novel materials are being enabled by advances in synthesis techniques that achieve ever better control over the atomic-scale structure of materials. The pace of materials development has been further increased by high-throughput computational experim
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::5a833d53d3c702e73513d7a8ee47926e
https://pubmed.ncbi.nlm.nih.gov/35023741
https://pubmed.ncbi.nlm.nih.gov/35023741
Publikováno v:
The Journal of Physical Chemistry C. 123:29209-29218
Advances in heterogeneous catalysis are being enabled by ever-growing control over the structure of surfaces at the atomic scale. To propose new defected catalytic surfaces, there is a need to syst...
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::9d3b1fc3b913bb6a4348ac2b50425125
https://doi.org/10.1021/acs.jpcc.9b08431
https://doi.org/10.1021/acs.jpcc.9b08431
Autor:
Jonathan W. Lekse, De Nyago Tafen, David C. Miller, Christopher L. Hanselman, Dominic R. Alfonso, Christopher Matranga, Chrysanthos E. Gounaris
Publikováno v:
Computers & Chemical Engineering. 126:168-177
Perovskite materials are being considered for a variety of applications due to their demonstrated capacity to rapidly transport lattice oxygen. Importantly, controlling the dopant concentration in the perovskite lattice has been shown to tune the oxy
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::d9a70738f511b49b6f5bd115ccc5e3dc
https://doi.org/10.1016/j.compchemeng.2019.03.033
https://doi.org/10.1016/j.compchemeng.2019.03.033
Publikováno v:
Journal of Global Optimization. 71:935-955
We study the Nesting Problem, which aims to determine a configuration of a set of irregular shapes within a rectangular sheet of material of fixed width, such that no overlap among the shapes exists, and such that the length of the sheet is minimized
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::0819eeead4b213329bdaa02c62773c94
https://doi.org/10.1007/s10898-018-0637-y
https://doi.org/10.1007/s10898-018-0637-y
Publikováno v:
AIChE Journal. 62:3250-3263
The recent explosion of capabilities to fabricate nanostructured materials to atomic precision has opened many avenues for technological advances but has also posed unique questions regarding the identification of structures that should serve as targ
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::e64360d4a7870262cceb6ab327c5c94a
https://doi.org/10.1002/aic.15359
https://doi.org/10.1002/aic.15359
Autor:
Christopher Matranga, Jonathan W. Lekse, David C. Miller, Christopher L. Hanselman, Dominic R. Alfonso, Chrysanthos E. Gounaris, De Nyago Tafen
Mathematical optimization can readily support the design of nanostructured materials in areas that are typically explored via design of experiments. The combinatorial nature of possible configurations of nanomaterials leads to a high-dimensional spac
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::d535866b0c0bb6524b28573540e17a49
https://doi.org/10.1016/b978-0-444-64241-7.50405-5
https://doi.org/10.1016/b978-0-444-64241-7.50405-5
