Comparison of all atom and united atom models for thermal transport calculations of amorphous polyethylene

Thermal Transport in Polyethylene: The Effect of Force Fields and Crystallinity

(2021) Sandra Sæther et al.   MACROMOLECULES

Microscopic Model to Quantify the Difference of Energy-Transfer Rates between Bonded and Nonbonded Monomers in Polymers

(2021) Louis Pigard et al.   MACROMOLECULES

Process-directed self-assembly of copolymers: Results of and challenges for simulation studies

(2020) Marcus Müller   PROGRESS IN POLYMER SCIENCE

Calculation of specific heat of polymers using molecular dynamics simulations

(2019) Rahul Bhowmik et al.   POLYMER

Influence of mass and charge disorder on the phonon thermal conductivity of entropy stabilized oxides determined by molecular dynamics simulations

(2019) M. Lim et al.   JOURNAL OF APPLIED PHYSICS

Tuning Morphology and Thermal Transport of Asymmetric Smart Polymer Blends by Macromolecular Engineering

(2019) Daniel Bruns et al.   MACROMOLECULES

Smart Responsive Polymers: Fundamentals and Design Principles

(2019) Debashish Mukherji et al.   Annual Review of Condensed Matter Physics

Temperature effects in the thermal conductivity of aligned amorphous polyethylene—A molecular dynamics study

(2018) Rajmohan Muthaiah et al.   JOURNAL OF APPLIED PHYSICS

Depleted depletion drives polymer swelling in poor solvent mixtures

(2017) Debashish Mukherji et al.   Nature Communications

Thermal Conductivity, Heat Capacity, and Elastic Constants of Water-Soluble Polymers and Polymer Blends

(2016) Xu Xie et al.   MACROMOLECULES

Resolving Dynamic Properties of Polymers through Coarse-Grained Computational Studies

(2016) K. Michael Salerno et al.   PHYSICAL REVIEW LETTERS

GROMACS 4.5: a high-throughput and highly parallel open source molecular simulation toolkit

(2013) Sander Pronk et al.   BIOINFORMATICS

Thermal conductivity from approach-to-equilibrium molecular dynamics

(2013) E. Lampin et al.   JOURNAL OF APPLIED PHYSICS

Exploring the ability of a multiscale coarse-grained potential to describe the stress-strain response of glassy polystyrene

(2013) Thomas W. Rosch et al.   PHYSICAL REVIEW E

Emerging applications of stimuli-responsive polymer materials

(2010) Martien A. Cohen Stuart et al.   NATURE MATERIALS

Predicting the thermal conductivity of inorganic and polymeric glasses: The role of anharmonicity

(2009) Sergei Shenogin et al.   JOURNAL OF APPLIED PHYSICS

Dynamics of Polystyrene Melts through Hierarchical Multiscale Simulations

(2009) Vagelis A. Harmandaris et al.   MACROMOLECULES