Modeling Amorphous Microporous Polymers for CO <sub/>2</sub> Capture and SeparationsKupgan, Grit; Abbott, Lauren J.; Hart, Kyle E.; Colina, Coray M. · Chemical Reviews · 2018

Morphology and molecular bridging in comb- and star-shaped diblock copolymersHart, Kyle E.; Abbott, Lauren J.; Lísal, Martin; Colina, Coray M. · The Journal of Chemical Physics · 2014

Toward Effective CO <sub/>2</sub> /CH <sub/>4</sub> Separations by Sulfur-Containing PIMs via Predictive Molecular SimulationsHart, Kyle E.; Abbott, Lauren J.; McKeown, Neil B.; Colina, Coray M. · Macromolecules · 2013

Molecular modelling of cation–π interactionsLamoureux, Guillaume; Orabi, Esam A. · Molecular Simulation · 2012

Molecular simulations in generalised ensembleOkamoto, Yuko · Molecular Simulation · 2012

Multiscale modelling of asphaltene disaggregationStoyanov, Stanislav R.; Gusarov, Sergey; Kovalenko, Andriy · Molecular Simulation · 2008

Leapfrog Rotational AlgorithmsFincham, David · Molecular Simulation · 1992

A force field for naproxenRömer, Frank; Kraska, Thomas · Molecular Simulation · 2012

Inverse Problem in Materials ScienceRudnyi, E. B.; Kuzmenko, V. V.; Voronin, G. F. · Molecular Simulation · 2000

Leapfrog Rotational Algorithms for Linear MoleculesFincham, David · Molecular Simulation · 1993

Interfaces in Molecular DockingMitchell, Julie C.; Shahbaz, Sharokina; Ten Eyck, Lynn F. · Molecular Simulation · 2004