Systematic benchmarking finds Grønbech-Jensen-Farago Langevin thermostat most consistent for temperature and energy sampling in binary LJ glass simulations, at roughly double the cost and with friction-dependent diffusion.
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ML-potential MD simulations of sodium disilicate, tetrasilicate and hexasilicate melts show sodium hopping via bimodal van Hove functions and strongest non-Gaussian parameter for oxygen atoms.
The paper reviews key computational methods for ultrastable glasses, discusses their efficiency and limitations, and compares the stability levels achieved.
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Computational Methods towards Ultrastable Glasses
The paper reviews key computational methods for ultrastable glasses, discusses their efficiency and limitations, and compares the stability levels achieved.