119 citations · 148 across the 2 of their papers we have counts for
2 papers
cs.MS2020★ 29 cited
VECMAtk: A Scalable Verification, Validation and Uncertainty Quantification Toolkit for Scientific Simulations
D. Groen, H. Arabnejad, V. Jancauskas +23
We present the VECMA toolkit (VECMAtk), a flexible software environment for single and multiscale simulations that introduces directly applicable and reusable procedures for verifi…
physics.comp-ph2020★ 119 cited
Uncertainty Quantification in Classical Molecular Dynamics
Shunzhou Wan, Robert C. Sinclair, Peter V. Coveney
Molecular dynamics simulation is now a widespread approach for understanding complex systems on the atomistic scale. It finds applications from physics and chemistry to engineering…