93 citations · 120 across the 3 of their papers we have counts for
3 papers
cond-mat.mtrl-sci2016★ 93 cited
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…
math.OC2014★ 20 cited
Adaptive Augmented Lagrangian Methods: Algorithms and Practical Numerical Experience
Frank E. Curtis, Nicholas I. M. Gould, Hao Jiang +1
In this paper, we consider augmented Lagrangian (AL) algorithms for solving large-scale nonlinear optimization problems that execute adaptive strategies for updating the penalty pa…
math.OC2014★ 7 cited
An Efficient Dimer Method With Preconditioning And Linesearch
N. Gould, C. Ortner, D. Packwood
The dimer method is a Hessian-free algorithm for computing saddle points. We augment the method with a linesearch mechanism for automatic step size selection as well as preconditio…