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Molecular modelling / Electromagnetism / Chemical bonding / Dipole / Force field / Van der Waals force / Polarization density / Polarizability / Chemical bond / Chemistry / Physics / Intermolecular forces


Submitted to The Journal of Physical Chemistry A Coupled Polarization-Matrix Inversion and Iteration Approach for Accelerating the Dipole Convergence in a Polarizable Potential Function Journal:
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Document Date: 2012-08-16 12:29:07

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File Size: 267,75 KB

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City

Manuscript / /

Facility

University of Minnesota / Supercomputing Institute / /

IndustryTerm

large systems / matrix products / condensed phase systems / interaction site / matrix inversion algorithm / large molecular systems / energy transfer / computational algorithms / energy / /

Organization

Supercomputing Institute / University of Minnesota / Polarizable Potential Function Wangshen Xie / Jingzhi Pu and Jiali Gao Department of Chemistry / /

Position

Author / /

ProvinceOrState

Minnesota / /

Technology

coupled algorithm / three computational algorithms / simulation / matrix inversion algorithm / /

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