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A generalized Hamiltonian-based algorithm for rigorous equilibrium molecular dynamics simulation in the isobaric-isothermal ensemble File

Keffer, D. J. , Baig, Chunggi , Adhangale, P. , Edwards, B. J.

Article Issue Date2006-04 View170
A molecular dynamics simulation study of hydrated sulfonated poly(ether ether ketone) for application to polymer electrolyte membrane fuel cells: Effect of water content File

Brunello, Giuseppe , Lee, Seung Geol , Jang, Seung Soon , Qi, Yue

Article Issue Date2009-05 View102
Multiscale simulation of polymer melt viscoelasticity: Expanded-ensemble Monte Carlo coupled with atomistic nonequilibrium molecular dynamics File

Baig, Chunggi , Mavrantzas, Vlasis G.

Article Issue Date2009-04 View143
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