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Towards Unveiling the Exact Molecular Structure of Amorphous Red Phosphorus by Single‐Molecule Studies

Angewandte Chemie International Edition, 2019-02, Vol.58 (6), p.1659-1663

International ed. in English, 2019

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GALAMOST: GPU-accelerated large-scale molecular simulation toolkit

Journal of computational chemistry, 2013-09, Vol.34 (25), p.2197-2211

2013

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Co-assembly nanoreactor protocol for the efficient synthesis of single-chain nanoparticles

Polymer (Guilford), 2024-04, Vol.299, p.126947, Article 126947

2024

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Coarse‐grained molecular dynamics simulation of polymers: Structures and dynamics

Wiley interdisciplinary reviews. Computational molecular science, 2023-11, Vol.13 (6), p.e1683

2023

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Carbonized Polymer Dots Assemble in Proton‐Conducting Channels to Enhance the Conductivity and Selectivity Simultaneously for High‐Performance Fuel Cells

Small (Weinheim an der Bergstrasse, Germany), 2023-08, Vol.19 (31), p.e2205291-n/a

2023

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Dynamics and reaction kinetics of coarse-grained bulk vitrimers: a molecular dynamics study

Physical chemistry chemical physics : PCCP, 2019, Vol.21 (24), p.13258-13267

2019

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An unexpected N-dependence in the viscosity reduction in all-polymer nanocomposite

Nature communications, 2019-12, Vol.10 (1), p.5552-8, Article 5552

2019

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Multiscale Self-Assembly of Mobile-Ligand Molecular Nanoparticles for Hierarchical Nanocomposites

ACS nano, 2019-06, Vol.13 (6), p.7135-7145

2019

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Tuning cavitation and crazing in polymer nanocomposite glasses containing bimodal grafted nanoparticles at the nanoparticle/polymer interface

Physical chemistry chemical physics : PCCP, 2019-03, Vol.21 (13), p.7115-7126

2019

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Molecular Simulation of Water and Hydration Effects in Different Environments: Challenges and Developments for DFTB Based Models

The journal of physical chemistry. B, 2014-09, Vol.118 (38), p.11007-11027

2014

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Stretchable phosphorescent polymers by multiphase engineering

Nature communications, 2024-05, Vol.15 (1), p.4113-4113, Article 4113

2024

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The interfacial structure and dynamics in a polymer nanocomposite containing small attractive nanoparticles: a full atomistic molecular dynamics simulation study

Physical chemistry chemical physics : PCCP, 2020-05, Vol.22 (2), p.114-1148

2020

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Quantum mechanical simulation reveals the role of cold helium atoms and the coexistence of bottom-up and top-down formation mechanisms of buckminsterfullerene from carbon vapor

Carbon (New York), 2017-04, Vol.114, p.635-641

2017

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Synthesis of Polymer Single‐Chain Nanoparticle with High Compactness in Cosolvent Condition: A Computer Simulation Study

Macromolecular rapid communications., 2020-12, Vol.41 (24), p.e1900655-n/a

2020

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A simulation study on the glass transition behavior and relevant segmental dynamics in free-standing polymer nanocomposite films

Soft matter, 2019-06, Vol.15 (22), p.4476-4485

2019

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Note: Chain length dependent nanoparticle diffusion in polymer melt: Effect of nanoparticle softness

The Journal of chemical physics, 2016-09, Vol.145 (10), p.106101-106101

2016

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Supercooled melt structure and dynamics of single-chain nanoparticles: A computer simulation study

The Journal of chemical physics, 2021-08, Vol.155 (5), p.054901-054901

2021

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Multiscale simulations of ligand adsorption and exchange on gold nanoparticles

Physical chemistry chemical physics : PCCP, 2018, Vol.20 (3), p.1381-1394

2018

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Versatile fabrication of patchy nanoparticles via patterning of grafted diblock copolymers on NP surface

Physical chemistry chemical physics : PCCP, 2019-01, Vol.21 (3), p.1417-1427

2019

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Template Effect in the Competition between Haeckelite and Graphene Growth on Ni(111): Quantum Chemical Molecular Dynamics Simulations

Journal of the American Chemical Society, 2011-11, Vol.133 (46), p.18837-18842

2011

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Translational and rotational dynamics of an ultra-thin nanorod probe particle in linear polymer melts

Physical chemistry chemical physics : PCCP, 2018, Vol.2 (32), p.2996-217

2018

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The glass transition of polymers with different side-chain stiffness confined in free-standing thin films

The Journal of chemical physics, 2015-02, Vol.142 (7), p.074902-074902

2015

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Quantum chemical simulations reveal acetylene-based growth mechanisms in the chemical vapor deposition synthesis of carbon nanotubes

Carbon (New York), 2014-06, Vol.72 (C), p.22-37

2014

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A comparative study on the dynamic heterogeneity of supercooled polymers under nanoconfinement

Physical chemistry chemical physics : PCCP, 2019-07, Vol.21 (28), p.15888-15898

2019

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A Perspective on the Dynamics Properties in Polymer Nanocomposites

Chinese journal of polymer science, 2023-09, Vol.41 (9), p.1355-1360

2023

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Towards Unveiling the Exact Molecular Structure of Amorphous Red Phosphorus by Single‐Molecule Studies

GALAMOST: GPU-accelerated large-scale molecular simulation toolkit

Co-assembly nanoreactor protocol for the efficient synthesis of single-chain nanoparticles

Coarse‐grained molecular dynamics simulation of polymers: Structures and dynamics

Carbonized Polymer Dots Assemble in Proton‐Conducting Channels to Enhance the Conductivity and Selectivity Simultaneously for High‐Performance Fuel Cells

Dynamics and reaction kinetics of coarse-grained bulk vitrimers: a molecular dynamics study

An unexpected N-dependence in the viscosity reduction in all-polymer nanocomposite

Multiscale Self-Assembly of Mobile-Ligand Molecular Nanoparticles for Hierarchical Nanocomposites

Tuning cavitation and crazing in polymer nanocomposite glasses containing bimodal grafted nanoparticles at the nanoparticle/polymer interface

Molecular Simulation of Water and Hydration Effects in Different Environments: Challenges and Developments for DFTB Based Models

Stretchable phosphorescent polymers by multiphase engineering

The interfacial structure and dynamics in a polymer nanocomposite containing small attractive nanoparticles: a full atomistic molecular dynamics simulation study

Quantum mechanical simulation reveals the role of cold helium atoms and the coexistence of bottom-up and top-down formation mechanisms of buckminsterfullerene from carbon vapor

Synthesis of Polymer Single‐Chain Nanoparticle with High Compactness in Cosolvent Condition: A Computer Simulation Study

A simulation study on the glass transition behavior and relevant segmental dynamics in free-standing polymer nanocomposite films

Note: Chain length dependent nanoparticle diffusion in polymer melt: Effect of nanoparticle softness

Supercooled melt structure and dynamics of single-chain nanoparticles: A computer simulation study

Multiscale simulations of ligand adsorption and exchange on gold nanoparticles

Versatile fabrication of patchy nanoparticles via patterning of grafted diblock copolymers on NP surface

Template Effect in the Competition between Haeckelite and Graphene Growth on Ni(111): Quantum Chemical Molecular Dynamics Simulations

Translational and rotational dynamics of an ultra-thin nanorod probe particle in linear polymer melts

The glass transition of polymers with different side-chain stiffness confined in free-standing thin films

Quantum chemical simulations reveal acetylene-based growth mechanisms in the chemical vapor deposition synthesis of carbon nanotubes

A comparative study on the dynamic heterogeneity of supercooled polymers under nanoconfinement

A Perspective on the Dynamics Properties in Polymer Nanocomposites

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