most citedNudged elastic band calculations accelerated with Gaussian process regression

141 citations · 171 across the 6 of their papers we have counts for

collaborators

5 papers

cond-mat.mes-hall20172 cited

Lifetime of racetrack skyrmions

P. F. Bessarab, G. P. Müller, I. S. Lobanov +7

The skyrmion racetrack is a promising concept for future information technology. There, binary bits are carried by nanoscale spin swirls -- skyrmions -- driven along magnetic strip…

physics.chem-ph2017141 cited

Nudged elastic band calculations accelerated with Gaussian process regression

Olli-Pekka Koistinen, Freyja B. Dagbjartsdóttir, Vilhjálmur Ásgeirsson +2

Minimum energy paths for transitions such as atomic and/or spin rearrangements in thermalized systems are the transition paths of largest statistical weight. Such paths are frequen…

physics.chem-ph201524 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…

cond-mat.soft20152 cited

Polymer escape from a confining potential

Harri Mökkönen, Timo Ikonen, Tapio Ala-Nissila +1

The rate of escape of polymers from a two-dimensionally confining potential well has been evaluated using self-avoiding as well as ideal chain representations of varying length, up…

cond-mat.soft2015

Transition State Theory Approach to Polymer Escape from a One Dimensional Potential Well

Harri Mökkönen, Timo Ikonen, Tapio Ala-Nissila +1

The rate of escape of an ideal bead-spring polymer in a symmetric double-well potential is calculated using transition state theory (TST) and the results compared with direct dynam…