Efficient computational search for lanthanide-binding additive dopants for advanced U-Zr based fuels
Sign Up to like & getrecommendations! Published in 2020 at "Materialia"
DOI: 10.1016/j.mtla.2020.100653
Abstract: Abstract A rational design strategy combining theory and experiment is highly desirable for the development of U-Zr based fuels that are resistant to lanthanide-induced fuel-cladding chemical interaction (FCCI). We performed rapid computational screening of FCCI-mitigating… read more here.
Keywords: efficient computational; lanthanide binding; binding additive; based fuels ... See more keywords
A time-critical crowdsourced computational search for the origins of COVID-19
Sign Up to like & getrecommendations! Published in 2021 at "Nature Electronics"
DOI: 10.1038/s41928-021-00619-4
Abstract: To the Editor — On 26 May, President Joe Biden called on the US Intelligence Community to redouble efforts to collect and analyse information on the origins of coronavirus disease 2019 (COVID-19), and report back… read more here.
Keywords: search; time critical; critical crowdsourced; computational search ... See more keywords
Computational search for Dirac and Weyl nodes in f -electron antiperovskites
Sign Up to like & getrecommendations! Published in 2019 at "Physical Review B"
DOI: 10.1103/physrevb.99.205126
Abstract: We present the result of an \textit{ab initio} search for new Dirac materials among inverse perovskites. Our investigation is focused on the less studied class of lanthanide antiperovskites containing heavy $f$-electron elements in the cation… read more here.
Keywords: nodes electron; dirac weyl; computational search; weyl nodes ... See more keywords
Computational search for UV radiation resistance strategies in Deinococcus swuensis isolated from Paramo ecosystems
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DOI: 10.1371/journal.pone.0221540
Abstract: Ultraviolet radiation (UVR) is widely known as deleterious for many organisms since it can cause damage to biomolecules either directly or indirectly via the formation of reactive oxygen species. The goal of this study was… read more here.
Keywords: deinococcus swuensis; resistance strategies; search radiation; computational search ... See more keywords
What Other Than Acridinium Esters? Computational Search for New Acridinium-Based Chemiluminogens
Sign Up to like & getrecommendations! Published in 2023 at "International Journal of Molecular Sciences"
DOI: 10.3390/ijms24119468
Abstract: The rapid increase in disease prevalence in the world makes it extremely important to search for new or develop existing diagnostic methods, for example, chemiluminescent labeling used in immunodiagnostics. At present, acridinium esters are willingly… read more here.
Keywords: esters computational; acridinium esters; computational search; acridinium ... See more keywords