Zobrazeno 1 - 10
of 33
pro vyhledávání: '"Ryan B. Jadrich"'
Publikováno v:
AIP Advances, Vol 7, Iss 11, Pp 115307-115307-10 (2017)
Using ground-state and relative-entropy based inverse design strategies, isotropic interactions with an attractive well are determined to stabilize and promote assembly of particles into two-dimensional square, honeycomb, and kagome lattices. The des
Externí odkaz:
https://doaj.org/article/e68b4650bf414b7a8e420b15b2119047
Publikováno v:
The Journal of Physical Chemistry B. 125:4794-4807
Experimental data suggest that the solubility of copper in high-temperature water vapor is controlled by the formation of hydrated clusters of the form CuCl(H2O)n, where the average number of water molecules in the cluster generally increases with in
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::aa9b9878ecead5d0f2757ea06099dbfc
https://doi.org/10.1021/acs.jpcb.1c00083
https://doi.org/10.1021/acs.jpcb.1c00083
Autor:
Jeffery A. Leiding, Ryan B. Jadrich
Publikováno v:
The Journal of Physical Chemistry B. 124:5488-5497
As a corollary of the rapid advances in computing, ab initio simulation is playing an increasingly important role in modeling materials at the atomic scale. Two strategies are possible, ab initio Monte Carlo (AIMC) and molecular dynamics (AIMD) simul
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::b0c696fb1d2f4793676ba38ac7095d0e
https://doi.org/10.1021/acs.jpcb.0c03738
https://doi.org/10.1021/acs.jpcb.0c03738
Publikováno v:
The Journal of Chemical Physics. 157:084116
While many physical processes are non-equilibrium in nature, the theory and modeling of such phenomena lag behind theoretical treatments of equilibrium systems. The diversity of powerful theoretical tools available to describe equilibrium systems has
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::7ef10a348f26aee068c6f2ea354f2e1b
https://doi.org/10.1063/5.0096276
https://doi.org/10.1063/5.0096276
The high cost of density functional theory has hitherto limited the ab initio prediction of equation of state (EOS). In this article, we employ a combination of large scale computing, advanced simulation techniques, and smart data science strategies
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::5d13bbcd5b3ad27477be496c1e6a72ef
http://arxiv.org/abs/2103.09849
http://arxiv.org/abs/2103.09849
Autor:
Beth A. Lindquist, Ryan B. Jadrich
Publikováno v:
Journal of Applied Physics. 131:155104
Many physics models have tunable parameters that are calibrated by matching the model output to experimental or calculated data. However, given that calibration data often contain uncertainty and that different model parameter sets might result in a
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::d3216e34ccdaefd88bbba128c1b9dbf8
https://doi.org/10.1063/5.0087210
https://doi.org/10.1063/5.0087210
Publikováno v:
Chemical Geology. 594:120766
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::51acf28ca930170ad3a0a34306da962b
https://doi.org/10.1016/j.chemgeo.2022.120766
https://doi.org/10.1016/j.chemgeo.2022.120766
Autor:
Ryan B, Jadrich, Jeffery A, Leiding
Publikováno v:
The journal of physical chemistry. B. 124(26)
As a corollary of the rapid advances in computing
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=pmid________::8eaced8853cd719fc8be65f5d375e2c1
https://pubmed.ncbi.nlm.nih.gov/32484668
https://pubmed.ncbi.nlm.nih.gov/32484668
Functional soft materials, comprising colloidal and molecular building blocks that self-organize into complex structures as a result of their tunable interactions, enable a wide array of technological applications. Inverse methods provide a systemati
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::4d9928593abea3bcebd91fc31366fcd3
Publikováno v:
SHOCK COMPRESSION OF CONDENSED MATTER - 2019: Proceedings of the Conference of the American Physical Society Topical Group on Shock Compression of Condensed Matter.
Here we present reactive Monte Carlo benchmarks of LANL’s new thermochemical code (Magpie). Thermochemical codes make various approximations such as representing the non-ideal portions of the equation of state with perturbation or integral equation
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::2d1b1985db5936481453db2252ec9d5d
https://doi.org/10.1063/12.0000940
https://doi.org/10.1063/12.0000940