781 citations · 781 across the 6 of their papers we have counts for
Showing 2016Show all
2 papers · 1 filter
cond-mat.mtrl-sci2016
A universal preconditioner for simulating condensed phase materials
David Packwood, James Kermode, Letif Mones +5
We introduce a universal sparse preconditioner that accelerates geometry optimisation and saddle point search tasks that are common in the atomic scale simulation of materials. Our…
physics.flu-dyn2016
Accelerating a hybrid continuum-atomistic fluidic model with on-the-fly machine learning
David Stephenson, James R Kermode, Duncan A Lockerby
We present a hybrid continuum-atomistic scheme which combines molecular dynamics (MD) simulations with on-the-fly machine learning techniques for the accurate and efficient predict…