Renlong Ye

2 Questions 5 Answers 0 Followers

Questions related from Renlong Ye

How do you interpret the "dU" in an irreversible process?

In equilibrium thermodynamics, we have ΔU=q+w. For an infinitesimal process, dU=dq+dw. But in a irreversible infinitesimal process, when the system is in non-equilibrium state, the term "dU" seems...

09 September 2014 8,535 65 View

Can anyone help me with MD, solvent model, periodic boundary conditions?

Is there any relation between explicit/implicit solvent model and periodic boundary conditions when setting up a MD simulation? Thanks & regards.

07 July 2014 3,079 1 View