32 citations · 65 across the 4 of their papers we have counts for
4 papers
Influence of electronic entropy on Hellmann-Feynman forces in ab initio molecular dynamics with large temperature changes
Ming Geng, Chris E. Mohn
The Z method is a popular atomistic simulation method for determining the melting temperature where a sequence of molecular dynamics runs are carried out to target the lowest syste…
Ab initio constraints on silica melting to 500 GPa
Ming Geng, Chris E. Mohn
The melting curve of pure silica (SiO) was determined using {\it ab initio} density functional theory together with the solid-liquid coexisting approach, thermodynamic integrat…
Predicting the Structure of Alloys using Genetic Algorithms
Chris E. Mohn, Svein Stølen, Walter Kob
We discuss a novel genetic algorithm that can be used to find global minima on the potential energy surface of disordered ceramics and alloys using a real-space symmetry adapted cr…
A genetic algorithm for the atomistic design and global optimisation of substitutionally disordered materials
Chris E. Mohn, Walter Kob
We present a genetic algorithm for the atomistic design and global optimisation of substitutionally disordered bulk materials and surfaces. Premature convergence which hamper conve…