Grand canonical ensemble molecular dynamics simulations: Reformulation of extended system dynamics approaches

Keyphrases

• Molecular Dynamics Simulation 100%
• Extended Systems 100%
• Grand Canonical Ensemble 100%
• System Dynamics Approach 100%
• Room Temperature 50%
• Chemical Potential 50%
• Liquid Water 50%
• Lennard-Jones Particles 50%
• State Space Partitioning 50%
• Triple Point 50%
• Reference State 50%
• Gassing Behavior 50%
• Partition Function 50%
• Ideal Gas 50%

Chemistry

• Partition Coefficient 50%