52 citations · 211 across the 14 of their papers we have counts for
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cond-mat.mtrl-sci2017★ 10 cited
CO2 packing polymorphism under confinement in cylindrical nanopores
Ilaria Gimondi, Matteo Salvalaglio
We investigate the effect of cylindrical nano-confinement on the phase behaviour of a rigid model of carbon dioxide using both molecular dynamics and well tempered metadynamics. To…
cond-mat.mtrl-sci2017★ 34 cited
CO2 packing polymorphism under pressure: mechanism and thermodynamics of the I-III polymorphic transition
Ilaria Gimondi, Matteo Salvalaglio
In this work we describe the thermodynamics and mechanism of CO polymorphic transitions under pressure from form I to form III combining standard molecular dynamics, well-tempe…