A new Lagrangian formulation is introduced. It can be used to make molecular dynamics (MD) calculations on systems under the most general, externally applied, conditions of stre...
With use of a Lagrangian which allows for the variation of the shape and size of the periodically repeating molecular-dynamics cell, it is shown that different pair potentials l...
The $\ensuremath{\alpha}\ensuremath{\rightleftarrows}\ensuremath{\beta}$ phase transition in AgI is studied with use of the new molecular-dynamics technique which allows for a d...
A system of 864 particles interacting with a Lennard-Jones potential and obeying classical equations of motion has been studied on a digital computer (CDC 3600) to simulate mole...
h-index: Number of publications with at least h citations each.