24 citations · 24 across the 1 of their papers we have counts for
2 papers
cond-mat.mtrl-sci2018
CLEASE: A versatile and user-friendly implementation of Cluster Expansion method
Jin Hyun Chang, David Kleiven, Marko Melander +3
Materials exhibiting a substitutional disorder such as multicomponent alloys and mixed metal oxides/oxyfluorides are of great importance in many scientific and technological sector…
physics.chem-ph2015★ 24 cited
Removing External Degrees of Freedom from Transition-State Search Methods using Quaternions
Marko Melander, Kari Laasonen, Hannes Jonsson
In finite systems, such as nanoparticles and gas-phase molecules, calculations of minimum energy paths (MEPs) connecting initial and final states of transitions as well as searches…