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Dynamics of Polystyrene Melts through Hierarchical Multiscale Simulations

Macromolecules, 2009-02, Vol.42 (3), p.791-802

2009

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Backmapping coarse-grained macromolecules: An efficient and versatile machine learning approach

The Journal of chemical physics, 2020-07, Vol.153 (4), p.041101-041101

2020

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Physics-Informed Deep Learning Approach for Reintroducing Atomic Detail in Coarse-Grained Configurations of Multiple Poly(lactic acid) Stereoisomers

Journal of chemical information and modeling, 2024-03, Vol.64 (6), p.1853-1867

2024

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Hierarchical modelling of polystyrene melts: from soft blobs to atomistic resolution

Soft matter, 2019-01, Vol.15 (2), p.289-32

2019

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Conformations and Dynamics of Polymer Chains in Cis and Trans Polybutadiene/Silica Nanocomposites through Atomistic Simulations: From the Unentangled to the Entangled Regime

Macromolecules, 2020-08, Vol.53 (15), p.6173-6189

2020

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Adsorption of air pollutants onto silver and gold atomic clusters: DFT and PNO-LCCSD-F12 calculations

RSC advances, 2023-06, Vol.13 (26), p.1814-1824

2023

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Aggregation and vesiculation of membrane proteins by curvature-mediated interactions

Nature, 2007-05, Vol.447 (7143), p.461-464

2007

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Temperature and Pressure Dependence of Polystyrene Dynamics through Molecular Dynamics Simulations and Experiments

Macromolecules, 2011-01, Vol.44 (2), p.393-402

2011

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Deep convolutional neural networks for generating atomistic configurations of multi-component macromolecules from coarse-grained models

The Journal of chemical physics, 2022-11, Vol.157 (18), p.184903-184903

2022

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Dynamics and Rheology of Polymer Melts via Hierarchical Atomistic, Coarse-Grained, and Slip-Spring Simulations

Macromolecules, 2021-03, Vol.54 (6), p.2740-2762

2021

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A novel method for measuring the bending rigidity of model lipid membranes by simulating tethers

The Journal of chemical physics, 2006-11, Vol.125 (20), p.204905-204905-6

2006

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Structure, Dynamics, and Apparent Glass Transition of Stereoregular Poly(methyl methacrylate)/Graphene Interfaces through Atomistic Simulations

Macromolecules, 2018-10, Vol.51 (19), p.7518-7532

2018

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Coarse-Grained Polymer Melts Based on Isolated Atomistic Chains: Simulation of Polystyrene of Different Tacticities

Macromolecules, 2009-10, Vol.42 (19), p.7579-7588

2009

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Structure and Conformation of Stereoregular Poly(methyl methacrylate) Chains Adsorbed on Graphene Oxide and Reduced Graphene Oxide via Atomistic Simulations

Macromolecules, 2019-05, Vol.52 (10), p.3825-3838

2019

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Multiscale modeling of soft matter: scaling of dynamics

Physical chemistry chemical physics : PCCP, 2011-01, Vol.13 (22), p.10412-10420

2011

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Effect of Solvent on the Self-Assembly of Dialanine and Diphenylalanine Peptides

The journal of physical chemistry. B, 2013-04, Vol.117 (15), p.3962-3975

2013

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Dynamics of Long Entangled Polyisoprene Melts via Multiscale Modeling

Macromolecules, 2021-09, Vol.54 (18), p.8693-8713

2021

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Self-assembly of Alanine-Isoleucine and Isoleucine-Isoleucine Dipeptides through Atomistic Simulations and Experiments

The journal of physical chemistry. B, 2020-08, Vol.124 (33), p.7102-7114

2020

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Edge-Functionalized Graphene as a Nanofiller: Molecular Dynamics Simulation Study

Macromolecules, 2015-12, Vol.48 (24), p.9024-9038

2015

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Predicting polymer dynamics at multiple length and time scales

Soft matter, 2009-01, Vol.5 (20), p.3920

2009

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Molecular Dynamics Simulation of a Polymer Melt/Solid Interface: Local Dynamics and Chain Mobility in a Thin Film of Polyethylene Melt Adsorbed on Graphite

Macromolecules, 2005-06, Vol.38 (13), p.5796-5809

2005

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Self-assembly of diphenylalanine peptides on graphene via detailed atomistic simulations

Physical chemistry chemical physics : PCCP, 2020-12, Vol.22 (47), p.27645-27657

2020

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Structure and Thermal Stability of wtRop and RM6 Proteins through All-Atom Molecular Dynamics Simulations and Experiments

International journal of molecular sciences, 2021-05, Vol.22 (11), p.5931

2021

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Correction: Foroozani Behbahani, A.; Harmandaris, V. Gradient of Segmental Dynamics in Stereoregular Poly(methyl methacrylate) Melts Confined between Pristine or Oxidized Graphene Sheets. Polymers 2021, 13 , 830

Polymers, 2021-12, Vol.14 (1), p.106

2021

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Synthesis and Modeling of Poly(L-lactic acid) via Polycondensation of L-Lactic Acid

Polymers, 2023-11, Vol.15 (23), p.4569

2023

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Dynamics of Polystyrene Melts through Hierarchical Multiscale Simulations

Backmapping coarse-grained macromolecules: An efficient and versatile machine learning approach

Physics-Informed Deep Learning Approach for Reintroducing Atomic Detail in Coarse-Grained Configurations of Multiple Poly(lactic acid) Stereoisomers

Hierarchical modelling of polystyrene melts: from soft blobs to atomistic resolution

Conformations and Dynamics of Polymer Chains in Cis and Trans Polybutadiene/Silica Nanocomposites through Atomistic Simulations: From the Unentangled to the Entangled Regime

Adsorption of air pollutants onto silver and gold atomic clusters: DFT and PNO-LCCSD-F12 calculations

Aggregation and vesiculation of membrane proteins by curvature-mediated interactions

Temperature and Pressure Dependence of Polystyrene Dynamics through Molecular Dynamics Simulations and Experiments

Deep convolutional neural networks for generating atomistic configurations of multi-component macromolecules from coarse-grained models

Dynamics and Rheology of Polymer Melts via Hierarchical Atomistic, Coarse-Grained, and Slip-Spring Simulations

A novel method for measuring the bending rigidity of model lipid membranes by simulating tethers

Structure, Dynamics, and Apparent Glass Transition of Stereoregular Poly(methyl methacrylate)/Graphene Interfaces through Atomistic Simulations

Coarse-Grained Polymer Melts Based on Isolated Atomistic Chains: Simulation of Polystyrene of Different Tacticities

Structure and Conformation of Stereoregular Poly(methyl methacrylate) Chains Adsorbed on Graphene Oxide and Reduced Graphene Oxide via Atomistic Simulations

Multiscale modeling of soft matter: scaling of dynamics

Effect of Solvent on the Self-Assembly of Dialanine and Diphenylalanine Peptides

Dynamics of Long Entangled Polyisoprene Melts via Multiscale Modeling

Self-assembly of Alanine-Isoleucine and Isoleucine-Isoleucine Dipeptides through Atomistic Simulations and Experiments

Edge-Functionalized Graphene as a Nanofiller: Molecular Dynamics Simulation Study

Predicting polymer dynamics at multiple length and time scales

Molecular Dynamics Simulation of a Polymer Melt/Solid Interface: Local Dynamics and Chain Mobility in a Thin Film of Polyethylene Melt Adsorbed on Graphite

Self-assembly of diphenylalanine peptides on graphene via detailed atomistic simulations

Structure and Thermal Stability of wtRop and RM6 Proteins through All-Atom Molecular Dynamics Simulations and Experiments

Correction: Foroozani Behbahani, A.; Harmandaris, V. Gradient of Segmental Dynamics in Stereoregular Poly(methyl methacrylate) Melts Confined between Pristine or Oxidized Graphene Sheets. Polymers 2021, 13 , 830

Synthesis and Modeling of Poly(L-lactic acid) via Polycondensation of L-Lactic Acid

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