94 citations · 247 across the 9 of their papers we have counts for
9 papers
PySAGES: flexible, advanced sampling methods accelerated with GPUs
Pablo F. Zubieta Rico, Ludwig Schneider, Gustavo R. Pérez-Lemus +11
Molecular simulations are an important tool for research in physics, chemistry, and biology. The capabilities of simulations can be greatly expanded by providing access to advanced…
Generation and propagation of solitary waves in nematic liquid crystals
Xingzhou Tang, Ali Mozaffari, Noe Atzin +3
Solitons in nematic liquid crystals offer intriguing opportunities for transport and sensing in microfluidic systems. Little is known about the elementary conditions that are neede…
Ionic transport in electrostatic Janus Membranes. An explicit solvent molecular dynamic simulation
Joan M. Montes de Oca, Johnson Dhanasekaran, Andres Cordoba +2
Janus --or two-sided, charged membranes offer promise as ionic current rectifiers. In such systems, pores consisting of two regions of opposite charge can be used to generate a cur…
Poisson's ratio and angle bending in spring networks
Nidhi Pashine, Daniel R. Reid, Meng Shen +2
The Poisson's ratio of a spring network system has been shown to depend not only on the geometry but also on the relative strength of angle-bending forces in comparison to the bond…
Machine learning active-nematic hydrodynamics
Jonathan Colen, Ming Han, Rui Zhang +10
Hydrodynamic theories effectively describe many-body systems out of equilibrium in terms of a few macroscopic parameters. However, such hydrodynamic parameters are difficult to der…
Low-temperature anomalies of a vapor deposited glass
Beatriz Seoane, Daniel R. Reid, Juan J. de Pablo +1
We investigate the low temperature properties of two-dimensional Lennard-Jones glass films, prepared in silico both by liquid cooling and by physical vapor deposition. We identify…