Related Experiment Video
Updated: May 15, 2026

Computation of Atmospheric Concentrations of Molecular Clusters from ab initio Thermochemistry
Published on: April 8, 2020
A geometrical approach to computing free-energy landscapes from short-ranged potentials
Miranda Holmes-Cerfon1, Steven J Gortler, Michael P Brenner
1School of Engineering and Applied Sciences and Kavli Institute for Bionano Science and Technology, Harvard University, Cambridge, MA 02138, USA. holmes@cims.nyu.edu
Abstract:
Particles interacting with short-ranged potentials have attracted increasing interest, partly for their ability to model mesoscale systems such as colloids interacting via DNA or depletion. We consider the free-energy landscape of such systems as the range of the potential goes to zero. In this limit, the landscape is entirely defined by geometrical manifolds, plus a single control parameter. These manifolds are fundamental objects that do not depend on the details of the interaction potential and provide the starting point from which any quantity characterizing the system--equilibrium or nonequilibrium--can be computed for arbitrary potentials. To consider dynamical quantities we compute the asymptotic limit of the Fokker-Planck equation and show that it becomes restricted to the low-dimensional manifolds connected by "sticky" boundary conditions. To illustrate our theory, we compute the low-dimensional manifolds for n ≤ 8 identical particles, providing a complete description of the lowest-energy parts of the landscape including floppy modes with up to 2 internal degrees of freedom. The results can be directly tested on colloidal clusters. This limit is a unique approach for understanding energy landscapes, and our hope is that it can also provide insight into finite-range potentials.
More Related Videos
05:37Rapid in-silico Battery Electrolyte Electrochemical Reaction Generation using 3T-VASP Multi-Scale Energy Minimization
Published on: August 22, 2025
10:29Quantitative Structure-Activity Relationship, Activity Prediction, and Molecular Dynamics of Non-nucleotide Reverse Transcriptase Inhibitors
Published on: May 9, 2025
Related Concept Videos
Calculating Standard Free Energy Changes
Energy Diagrams - II
The point in the energy diagram at which the system’s potential energy is the lowest is known as the local minima. The system tends to stay in this position indefinitely unless acted upon by a net force. The slope of the potential energy diagram at the local minima is zero, indicating that zero net force is acting on the system. The slope...
Thermodynamic Potentials
Gibbs Free Energy
Arrhenius Plots
The Arrhenius equation can be used to...
Potential-Energy Criterion for Equilibrium