Chunxia Chen

TL;DR: Dynamic observables in the CG model are in excellent agreement with their united atom counterparts, but they cannot be compared to neutron data because the time after which theCG model is valid is greater than the neutron decay times.

TL;DR: In this article, the mobility of poly(methyl methacrylate) [PMMA] in a blend with 20 wt % poly(ethylene oxide) was assessed using quasi-elastic neutron scattering (QENS) and compared to pure PMMA.

TL;DR: This work considers coarse-grained models for four polymers and one polymer mixture, where accurate dynamics are obtained by scaling to match the mean-squared displacements of the corresponding atomistic descriptions, and shows that the required scaling is dictated by local friction.

TL;DR: Electronic structure calculations and X-ray diffraction measurements presented here challenge long held beliefs, finding that only modest pressures are required to transform LaMnPO, isostructural to superconducting host LaFeAsO, from an antiferromagnetic insulator to a metallic antiferrosagnet, where the Mn moment vanishes in a second pressure-driven transition.

TL;DR: The explicit atom description more closely resembles dynamic experimental data than theunited atom description, although the latter provides a reasonable approximation, and the coarse-grained description provides structural and dynamic properties in agreement with the united atom description on which it is based, while allowing extension of the time trajectory of the simulation.