99 citations · 100 across the 4 of their papers we have counts for
4 papers
Arbitrarily accurate representation of atomistic dynamics via Markov Renewal Processes
Animesh Agarwal, Sandrasegaram Gnanakaran, Nicholas Hengartner +2
Atomistic simulations with methods such as molecular dynamics are extremely powerful tools to understand nanoscale dynamical behavior. The resulting trajectories, by the virtue of…
An Entropy-Maximization Approach to Automated Training Set Generation for Interatomic Potentials
Mariia Karabin, Danny Perez
Machine learning (ML)-based interatomic potentials are currently garnering a lot of attention as they strive to achieve the accuracy of electronic structure methods at the computat…
Diffusion and transformation kinetics of small Helium clusters in bulk Tungsten
Danny Perez, Thomas Vogel, Blas P. Uberuaga
The production of energy through nuclear fusion poses serious challenges related to the stability and performance of materials in extreme conditions. In particular, the constant bo…
Sampling in the multicanonical ensemble: Small He clusters in W
Thomas Vogel, Danny Perez
We carry out generalized-ensemble molecular dynamics simulations of the formation of small Helium (He) clusters in bulk Tungsten (W), a process of practical relevance for fusion en…