A symplectic integrator for molecular dynamics on a hypersphere
We present a reversible and symplectic algorithm called ROLL, for integrating the equations of motion in molecular dynamics simulations of simple fluids on a hypersphere Sd of arbitrary dimension d. It is derived in the framework of geometric algebra and shown to be mathematically equivalent to algo...
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| Format: | Article |
| Language: | English |
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Institute for Condensed Matter Physics
2020-05-01
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| Series: | Condensed Matter Physics |
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| Online Access: | https://doi.org/10.5488/CMP.23.23603 |