Nanoconfinement Science Gateway
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Abstract
The nanoconfinement science gateway empowers users to simulate ions confined between material surfaces that are nanometers apart, and extract the associated ionic structure. The gateway facilitates investigations for a wide array of ionic and environmental parameters using standard molecular dynamics (MD) method for unpolarizable surfaces and an advanced MD technique for polarizable surfaces (dielectric interfaces).
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Apache Airavata
smarru@iu.edu
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Frameworks
Apache Airavata
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cyoun
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