23 citations · 34 across the 2 of their papers we have counts for
3 papers
physics.app-ph2020★ 11 cited
Ion transport across solid-state ion channels perturbed by directed strain
A. Smolyanitsky, A. Fang, A. F. Kazakov +1
We combine quantum-chemical calculations and molecular dynamics simulations to consider aqueous ion flow across non-axisymmetric nanopores in monolayer graphene and MoS. When t…
physics.app-ph2018★ 23 cited
Mechanosensitive ion permeation across sub-nanoporous MoS monolayers
A. Fang, K. Kroenlein, A. Smolyanitsky
We use all-atom molecular dynamics simulations informed by density functional theory calculations to investigate aqueous ion transport across sub-nanoporous monolayer molybdenum di…
cs.MS2012
Building a Framework for Predictive Science
Michael M. McKerns, Leif Strand, Tim Sullivan +2
Key questions that scientists and engineers typically want to address can be formulated in terms of predictive science. Questions such as: "How well does my computational model rep…