The Genetic and the Basin Hopping algorithms are used to try to find the global minima of a system of a lithium ion surrounded by one hundred point dipole particles. Six of these have a dipole moment equal to that of nitromethane, and the remaining one hundred that of tetrahydrofuran. Thermodynamic properties are simulated using the Hybrid Monte Carlo method enhanced with Replica Exchange.<br/>The Genetic and the Basin Hopping algorithms are used to try to find the global minima of a system of a lithium ion surrounded by one hundred point dipole particles. Six of these have a dipole moment equal to that of nitromethane, and the remaining one hundred that of tetrahydrofuran. Thermodynamic properties are simulated using the Hybrid Monte Carlo method enhanced with Replica Exchange.<br/>

Minima and thermodynamic properties of a large lithium ion – Stockmayer Cluster

255th National Meeting (2018)

The official archive and repository for all ACS Meetings & Expositions abstracts and select posters or presentations.