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coarse grain

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3 results in Keywords: coarse grain

Physical Chemistry

Soft Matter under Pressure: Pushing Particle-Field Molecular Dynamics to the Isobaric Ensemble

Samiran Sen, Morten Ledum, Sigbjørn Løland Bore, Michele Cascella

Version 1 posted 06 February 2023

523

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Theoretical and Computational Chemistry

Systematic bottom-up molecular coarse-graining via force and torque matching using anisotropic particles

David Huang, Huong Nguyen

Version 2 posted 05 April 2022

623

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Theoretical and Computational Chemistry

Modeling coarse-grained van der Waals interactions using dipole-coupled anisotropic quantum Drude oscillators

Prasanta Bandyopadhyay, Mainak Sadhukhan

Version 1 posted 02 August 2022

195

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