
PETRA
BACOVA
Posdoctoral Acceso al Sist. Esp. de CC Tecn.
Publications (30)
2023
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Soft Character of Star-Like Polymer Melts: From Linear-Like Chains to Impenetrable Nanoparticles
Nano Letters, Vol. 23, Núm. 4, pp. 1608-1614
2022
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Wall-Spring Thermostat: A Novel Approach for Controlling the Dynamics of Soft Coarse-Grained Polymer Fluids at Surfaces
Macromolecules, Vol. 55, Núm. 13, pp. 5550-5566
2021
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Coupling between polymer conformations and dynamics near amorphous silica surfaces: A direct insight from atomistic simulations
Nanomaterials, Vol. 11, Núm. 8
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Dynamics and Rheology of Polymer Melts via Hierarchical Atomistic, Coarse-Grained, and Slip-Spring Simulations
Macromolecules, Vol. 54, Núm. 6, pp. 2740-2762
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How Does the Number of Arms Affect the Properties of Mikto-Arm Stars in a Selective Oligomeric Matrix? Insights from Atomistic Simulations
ACS Omega, Vol. 6, Núm. 2, pp. 1138-1148
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Mikto-arm stars as soft-patchy particles: From building blocks to mesoscopic structures
Polymers, Vol. 13, Núm. 7
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Size and Shape Characteristics of Polystyrene and Poly(ethylene oxide) Star Polymer Melts Studied By Atomistic Simulations
Macromolecular Theory and Simulations, Vol. 30, Núm. 1
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Tailoring Interfacial Properties in Polymer-Silica Nanocomposites via Surface Modification: An Atomistic Simulation Study
ACS Applied Polymer Materials, Vol. 3, Núm. 5, pp. 2576-2587
2020
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Dynamical heterogeneities in non-entangled polystyrene and poly(ethylene oxide) star melts
Physics of Fluids, Vol. 32, Núm. 12
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Properties of nanographene in polymer nanocomposites through all-atom simulations: Shape fluctuations and rippling
Computational Materials Science, Vol. 172
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Spatio-temporal heterogeneities in nanosegregated single-molecule polymeric nanoparticles
Soft Matter, Vol. 16, Núm. 19, pp. 4584-4590
2019
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Investigation of the properties of nanographene in polymer nanocomposites through molecular simulations: dynamics and anisotropic Brownian motion
Physical Chemistry Chemical Physics, Vol. 21, Núm. 43, pp. 23843-23854
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Nanostructuring Single-Molecule Polymeric Nanoparticles via Macromolecular Architecture
ACS Nano
2018
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Atomistic Molecular Dynamics Simulations of Polymer/Graphene Nanostructured Systems
Materials Today: Proceedings
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Effect of chain stiffness on the structure of single-chain polymer nanoparticles
Journal of Physics Condensed Matter, Vol. 30, Núm. 3
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Effect of macromolecular architecture on the self-assembly behavior of copolymers in a selective polymer host
Soft Matter, Vol. 14, Núm. 47, pp. 9562-9570
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Modelling of novel polymer materials through atomistic molecular dynamics simulations
Procedia Computer Science
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The Role of the Functionality in the Branch Point Motion in Symmetric Star Polymers: A Combined Study by Simulations and Neutron Spin Echo Spectroscopy
Macromolecules, Vol. 51, Núm. 1, pp. 242-253
2017
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Folding Single Chains to Single-Chain Nanoparticles via Reversible Interactions: What Size Reduction Can One Expect?
Macromolecules, Vol. 50, Núm. 4, pp. 1732-1739
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The Role of the Topological Constraints in the Chain Dynamics in All-Polymer Nanocomposites
Macromolecules, Vol. 50, Núm. 4, pp. 1719-1731