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pro vyhledávání: '"Muralidharan, Ajay"'
Autor:
Muralidharan, Ajay, Yethiraj, Arun
The propensity for ion-pairing can often dictate the thermodynamic and kinetic properties of electrolyte solutions. Fast and accurate estimates of ion-pairing can thus be extremely valuable for supplementing design and screening efforts for novel ele
Externí odkaz:
http://arxiv.org/abs/2110.14036
Ions transiting biomembranes might pass readily from water through ion-specific membrane proteins if those protein channels provide environments similar to the aqueous solution hydration environment. Indeed, bulk aqueous solution is an important refe
Externí odkaz:
http://arxiv.org/abs/1912.04102
Li+ transport within a solid electrolyte interphase (SEI) in lithium ion batteries has challenged molecular dynamics (MD) studies due to limited compositional control of that layer. In recent years, experiments and ab initio simulations have identifi
Externí odkaz:
http://arxiv.org/abs/1801.08907
Autor:
Muralidharan, Ajay, Yethiraj, Arun
Publikováno v:
Journal of Chemical Physics; 2/7/2022, Vol. 156 Issue 5, p1-8, 8p
Tuning Ion Correlations for the Rational Design of (Poly)electrolytes
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::1e2beedb9a1be3ccfa60bf7f50cb692a
Autor:
Muralidharan, Ajay, Yethiraj, Arun
My current research develops robust and fast methods to predict molecular properties for computational screening of battery electrolytes. On this poster, I describe our new simulation tool (ClusterMT) that estimates ion-pairing metrics efficiently an
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::4b7aba4e37f73a82668893161433fca2
Akademický článek
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Strategic incorporation of fluorinated prolines can accelerate folding and increase thermal stability of proteins. It has been suggested that this behavior emerges from puckering effects induced by fluorination of the proline ring. We use electronic
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::0405a40d6ce64b438e5ebfd827a3363d
Akademický článek
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Publikováno v:
Annual Review of Physical Chemistry; 2020, Vol. 71, p461-484, 24p