15 citations · 23 across the 3 of their papers we have counts for
3 papers
cond-mat.stat-mech2022
A statistical comparison of different approximate Hamiltonian-based anharmonic free energy estimators
Erki Metsanurk
Ensuring a satisfactory statistical convergence of anharmonic thermodynamic properties requires sampling of many atomic configurations, however the methods to obtain those necessar…
cond-mat.mtrl-sci2019★ 8 cited
Sampling dependent systematic errors in effective harmonic models
Erki Metsanurk, Mattias Klintenberg
Effective harmonic methods allow for calculating temperature dependent phonon frequencies by incorporating the anharmonic contributions into an effective harmonic Hamiltonian. The…
cond-mat.mtrl-sci2014★ 15 cited
First-principles study of point defects at semicoherent interface
Erki Metsanurk, Alfredo Caro, Artur Tamm +2
Modeling semicoherent metal-metal interfaces has so far been performed using atomistic simulations based on semiempirical interatomic potentials. We demonstrate through more precis…