5 citations · 9 across the 5 of their papers we have counts for
3 papers · 1 filter
Local temperature measurement in molecular dynamics simulations with rigid constraints
Stephen Sanderson, Shern R. Tee, Debra J. Searles
Constraining molecules in simulations (such as with constant bond lengths and/or angles) reduces their degrees of freedom (DoF), which in turn affects temperature calculations in t…
Fluctuation theorems and distribution functions for polar molecules in an electric field
Debra J. Searles, Stephen Sanderson
In this perspective we consider how modern statistical mechanics and response theory can be applied to understand the response of polar molecules to an applied electric field and t…
Machine learning a time-local fluctuation theorem for nonequilibrium steady states
Stephen Sanderson, Charlotte F. Petersen, Debra J. Searles
Fluctuation theorems (FTs) quantify the thermodynamic reversibility of a system, and for deterministic systems they are defined in terms of the dissipation function. However, in a…