Discontinuous molecular dynamics for semiflexible and rigid bodies.
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Summary
A general framework for performing event-driven simulations of systems with semiflexible or rigid bodies interacting under impulsive forces is outlined, specifying a means of computing the free evolution of constrained motion, evaluating the times at which interactions occur, and determining the consequences of interactions on subsequent motion.
- Type
- article
- Published
- 2006-07-20
- Cited by
- 35
- References
- 39
- Access
- Open access
- OpenAlex
- https://openalex.org/W17328591
- Semantic Scholar
- https://api.semanticscholar.org/CorpusID:10768780
Keywords
Computer science
References
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Cited by
- Clustering and self-assembly in colloidal systems
- Coarse‐grained methods for polymeric materials: enthalpy‐ and entropy‐driven models
- Large-Scale Computations in Chemistry: A Bird's Eye View of a Vibrant Field.
- Fast simulation of polymer chains.
- Vacancy-stabilized crystalline order in hard cubes
- Numerical implementation of the exact dynamics of free rigid bodies
- Phase diagram of a reentrant gel of patchy particles.
- Symplectic algorithms for simulations of rigid-body systems using the exact solution of free motion.
- Constructing smooth potentials of mean force, radial distribution functions, and probability densities from sampled data.
- Free energy landscape of protein-like chains with discontinuous potentials.
- Event-driven dynamics of rigid bodies interacting via discretized potentials.
- Molecular dynamics in the isothermal-isobaric ensemble: the requirement of a "shell" molecule. III. Discontinuous potentials.
- Liquids more stable than crystals in particles with limited valence and flexible bonds
- Discontinuous molecular dynamics for rigid bodies: applications.
- An event-driven algorithm for fractal cluster formation
- Communications: On the linear response of mechanical systems with constraints.
- Simulating hard rigid bodies
- Phase behavior of hard colloidal platelets using free energy calculations.
- Gelling by Heating
- Variational collision integrator for polymer chains
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