Molecular Dynamics Chapter 2. Molecular Dynamics in Various ...

More documents

Recommendations

Info

Molecular Dynamics Chapter 2.1 Canonical Ensemble P( E A ) = exp( −E ∑ i A exp( −E / i kT ) / kT ) How to write Grand Canonical Ensemble partition function: P ∞ ∑ N = 0 = ( N!) −1 V N z Q N ∫ μVT dr exp( −βE) z = ( h 2 exp( βμ ) / 2πmk T ) B 3/ 2
Molecular Dynamics Chapter 2.1 How to Realize Grand Canonical Ensemble in Monte Carlo 1. Internal Displacements ρ accp = min( 1,exp( −βE)) 2. Insertion and removal ρ ρ accp accp = − min( 1,exp( −β ( En 1 + u − En)) = + min( 1,exp( −β ( En 1 − u − En))
Page 1 and 2: Molecular Dynamics Chapter 2. Molec
Page 3 and 4: Molecular Dynamics Chapter 2.1 Basi
Page 9 and 10: Molecular Dynamics Chapter 2.2 Cano
Page 15 and 16: Molecular Dynamics Chapter 1.1 Ther
Page 17 and 18: Molecular Dynamics Chapter 1.1 The
Page 19 and 20: Molecular Dynamics Chapter 1.1 Bere
Page 21 and 22: Molecular Dynamics Chapter 1.1 Stoc
Page 23 and 24: Molecular Dynamics Chapter 1.1 Inte
Page 29 and 30: Molecular Dynamics Chapter 1.1 Stoc
Page 31 and 32: Molecular Dynamics Chapter 1.1 Nose
Page 33: Molecular Dynamics Chapter 2.1 Gran
Page 37 and 38: Molecular Dynamics Chapter 2.1 Exte
Page 43: Molecular Dynamics Chapter 2.1 Exte

Molecular Dynamics Chapter 2. Molecular Dynamics in Various ...

Create successful ePaper yourself

Delete template?

Save as template?