COMPASS II: extended coverage for polymer and drug-like molecule databases
Sun, Huai, Jin, Zhao, Yang, Chunwei, Akkermans, Reinier L. C., Robertson, Struan H., Spenley, Neil A., Miller, Simon, Todd, Stephen M.
Published in Journal of molecular modeling (01.02.2016)
Published in Journal of molecular modeling (01.02.2016)
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Journal Article
Monte Carlo methods in Materials Studio
Akkermans, Reinier L.C., Spenley, Neil A., Robertson, Struan H.
Published in Molecular simulation (01.12.2013)
Published in Molecular simulation (01.12.2013)
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Journal Article
COMPASS III: automated fitting workflows and extension to ionic liquids
Akkermans, Reinier L. C., Spenley, Neil A., Robertson, Struan H.
Published in Molecular simulation (03.05.2021)
Published in Molecular simulation (03.05.2021)
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Journal Article
Molecular simulation of thermoset curing: application to 3D printing materials
Jenei, Márk, Akkermans, Reinier L. C., Robertson, Struan, Elliott, James A.
Published in Molecular simulation (03.05.2021)
Published in Molecular simulation (03.05.2021)
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Journal Article
On the Equivalence of Atomic and Molecular Pressure
Akkermans, Reinier L. C, Ciccotti, Giovanni
Published in The journal of physical chemistry. B (27.05.2004)
Published in The journal of physical chemistry. B (27.05.2004)
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Journal Article