Acceleration of Liquid-Crystalline Phase Transition Simulations Using Selectively Scaled and Returned Molecular Dynamics.
Ryoma SasakiYoshihiro HayashiSusumu KawauchiPublished in: J. Chem. Inf. Model. (2020)
Keyphrases
- molecular dynamics
- phase transition
- constraint satisfaction
- high performance computing
- molecular dynamics simulations
- satisfiability problem
- scientific data
- hard problems
- randomly generated
- np complete problems
- sat problem
- protein folding
- np complete
- fluid flow
- random graphs
- cellular automata
- random constraint satisfaction problems
- magnetic field
- boundary conditions
- random instances
- special case