LAST ISSUE
MANUSCRIPT SUBMISSION
FUTURE ISSUES
ALL ISSUES
DATABASES
Blog Archives
Singly-Thermostated Ergodicity in Gibbs’ Canonical Ensemble and the 2016 Ian Snook Prize Award
The 2016 Snook Prize has been awarded to Diego Tapias, Alessandro Bravetti, and David Sanders for their paper “Ergodicity of One-Dimensional Systems Coupled to the Logistic Thermostat”. They introduced a relatively-stiff hyperbolic tangent thermostat force and successfully tested its ability ...
Singly-Thermostated Ergodicity in Gibbs’ Canonical Ensemble and the 2016 Ian Snook Prize
For a harmonic oscillator, Nosé’s single-thermostat approach to simulating Gibbs’ canonical ensemble with dynamics samples only a small fraction of the phase space. Nosé’s approach has been improved in a series of three steps: [1] several two-thermostat sets of motion equations have been ...
Ergodicity of a Time-Reversibly Thermostated Harmonic Oscillator and the 2014 Ian Snook Prize
Shuichi Nosé opened up a new world of atomistic simulation in 1984. He formulated a Hamiltonian tailored to generate Gibbs’ canonical distribution dynamically. This clever idea bridged the gap between microcanonical molecular dynamics and canonical statistical mechanics. Until then the canon ...