Structural Coarse-Graining via Multiobjective Optimization with Differentiable Simulation
In the realm of multiscale molecular simulations, structure-based coarse-graining is a
prominent approach for creating efficient coarse-grained (CG) representations of soft matter …
prominent approach for creating efficient coarse-grained (CG) representations of soft matter …
Force-Field Benchmark for Polydimethylsiloxane: Density, Heat Capacity, Isothermal Compressibility, Viscosity and Thermal Conductivity
Polysiloxanes are versatile polymeric materials with widespread applications in industries
ranging from electronics to biomedical devices because of their unique thermal and …
ranging from electronics to biomedical devices because of their unique thermal and …
[HTML][HTML] Functionalized Triblock Copolymers with Tapered Design for Anion Exchange Membrane Fuel Cells
MT Lee - Polymers, 2024 - mdpi.com
Triblock copolymers such as styrene-b-(ethylene-co-butylene)-b-styrene (SEBS) have been
widely used as an anion exchange membrane for fuel cells due to their phase separation …
widely used as an anion exchange membrane for fuel cells due to their phase separation …
Preparation of thermal interface materials with high thermal conductivity through the synergistic effect of Monoalkoxy-Terminated polysiloxane and branched siloxane …
X Hu, S Wei, Y Zhang, Q Lin, X Chen, L Cai… - European Polymer …, 2024 - Elsevier
Four mono-alkoxysilyl-terminated asymmetric siloxane oligomers and a dimethylvinylsilyl-
terminated branched-chain structure siloxane oligomer were prepared by a series of …
terminated branched-chain structure siloxane oligomer were prepared by a series of …
Hybrid particle-field molecular dynamics: a primer
This chapter provides an introduction to Hybrid Particle-Field Molecular Dynamics (hPF-
MD), the basic theoretical framework and the main ideas behind this recent methodology …
MD), the basic theoretical framework and the main ideas behind this recent methodology …