539 citations · 2.2k across the 35 of their papers we have counts for
36 papers
Understanding Dynamics in Coarse-Grained Models: III. Roles of Rotational Motion and Translation-Rotation Coupling in Coarse-Grained Dynamics
Jaehyeok Jin, Eok Kyun Lee, Gregory A. Voth
This paper series aims to establish a complete correspondence between fine-grained (FG) and coarse-grained (CG) dynamics by way of excess entropy scaling (introduced in Paper I). W…
Orientation of Finite Reynolds Number Anisotropic Particles Settling in Turbulence
Anubhab Roy, Stefan Kramel, Udayshankar Menon +2
We present experimental and computational results for the orientation distributions of slender fibers and ramified particles settling in an isotropic turbulent flow. The rotational…
Folding dynamics and its intermittency in turbulence
Yinghe Qi, Charles Meneveau, Greg Voth +1
Fluid elements deform in turbulence by stretching and folding. In this work, by projecting the material deformation tensor onto the largest stretching direction, the dynamics of fo…
Utilizing Machine Learning to Greatly Expand the Range and Accuracy of Bottom-Up Coarse-Grained Models Through Virtual Particles
Patrick G. Sahrmann, Timothy D. Loose, Aleksander E. P. Durumeric +1
Coarse-grained (CG) models parameterized using atomistic reference data, i.e., 'bottom up' CG models, have proven useful in the study of biomolecules and other soft matter. However…
Centroid Molecular Dynamics Can Be Greatly Accelerated Through Neural Network Learned Centroid Forces Derived from Path Integral Molecular Dynamics
Timothy D. Loose, Patrick G. Sahrmann, Gregory A. Voth
For nearly the past 30 years, Centroid Molecular Dynamics (CMD) has proven to be a viable classical-like phase space formulation for the calculation of quantum dynamical properties…
Inertial torque on a squirmer
F. Candelier, J. Qiu, L. Zhao +2
A small spheroid settling in a quiescent fluid experiences an inertial torque that aligns it so that it settles with its broad side first. Here we show that an active particle expe…