Using finite element codes as a numerical platform to run molecular dynamics simulations
DOI10.1007/S00466-018-1594-5zbMATH Open1468.74073OpenAlexW2811393208WikidataQ113327237 ScholiaQ113327237MaRDI QIDQ670347FDOQ670347
Authors: J. Wackerfuß, Florian Niederhöfer
Publication date: 18 March 2019
Published in: Computational Mechanics (Search for Journal in Brave)
Full work available at URL: https://doi.org/10.1007/s00466-018-1594-5
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Cites Work
- Title not available (Why is that?)
- Solving Ordinary Differential Equations I
- Title not available (Why is that?)
- Geometric Numerical Integration
- Numerical Methods for Ordinary Differential Equations
- The atomic-scale finite element method
- Molecular mechanics in the context of the finite element method
- A coupled mechanical-charge/dipole molecular dynamics finite element method, with multi-scale applications to the design of graphene nano-devices
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