23 citations · 43 across the 2 of their papers we have counts for
2 papers
physics.chem-ph2023★ 20 cited
Fast conformational clustering of extensive molecular dynamics simulation data
Simon Hunkler, Kay Diederichs, Oleksandra Kukharenko +1
We present an unsupervised data processing workflow that is specifically designed to obtain a fast conformational clustering of long molecular dynamics simulation trajectories. In…
cond-mat.soft2022★ 23 cited
Data-driven identification and analysis of the glass transition in polymer melts
Atreyee Banerjee, Hsiao-Ping Hsu, Kurt Kremer +1
Understanding the nature of glass transition, as well as precise estimation of the glass transition temperature for polymeric materials, remain open questions in both experimental…