Understanding Molecular Simulation: From Algorithms to Applications
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- book
- Published
- 2001-01-01
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- 6,455
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- https://openalex.org/W1975353473
Keywords
Variety (cybernetics), Computer science, Management science, Artificial intelligence, Engineering
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- Molecular-dynamics simulations of self-assembled monolayers (SAM) on parallel computers
- Replica Exchange and Multicanonical Algorithms with the coarse-grained UNRES force field.
- The structure of the hydrated electron in bulk and at interfaces: Does the hydrated electron occupy a cavity?
- Automated Optimization of Potential Parameters
- Tinker 8: Software Tools for Molecular Design
- Path integral Monte Carlo. Algorithms and applications to quantum fluids
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