Dr. Wong's group discloses a "Pitfall in Free-Energy Simulations on Simplest Systems" [with YouTube clip] (13-July-2017)

Dr. Wong's group has published a research article that reveals a hidden pitfall in Molecular Dynamics simulations using an excellent simplest example. This work, which is based on the perspective of Jacobian scale factor, would overturn the conventional concepts and address a number of unsettled issues in the research community about unconstrained and constrained free-energy simulations. More details can be found as follows, including a Free YouTube Clip of Video Abstract:

Graphical Abstract:
Free YouTube Clip of Video Abstract: