MOLECULAR DYNAMICS OF CARBON NANOTUBE-POLYPEPTIDE COMPLEXES AT THE BIOMEMBRANE-WATER INTERFACE

Carbon Nanotubes - NATO Science Series II: Mathematics, Physics and Chemistry ◽

10.1007/1-4020-4574-3_44 ◽

2006 ◽

pp. 233-234

Author(s):

KONSTANTIN V. SHAITAN ◽

YEGOR V. TOURLEIGH ◽

DMITRIY N. GOLIK

Keyword(s):

Molecular Dynamics ◽

Carbon Nanotube ◽

Water Interface

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ENHANCED INTERFACIAL THERMAL CONDUCTANCE BETWEEN CARBON NANOTUBE AND GOLD BY MOLECULE JUNCTIONS: A MOLECULAR DYNAMICS STUDY

10.1615/ihtc16.nmt.022699 ◽

2018 ◽

Author(s):

Yuan Dong ◽

Chenghao Diao ◽

Yingru Song ◽

Haojia Chi ◽

Jian Lin

Keyword(s):

Molecular Dynamics ◽

Carbon Nanotube ◽

Thermal Conductance ◽

Interfacial Thermal Conductance

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MOLECULAR DYNAMICS SIMULATION OF POLYMER/CARBON NANOTUBE COMPOSITES

Nanomechanics Science and Technology An International Journal ◽

10.1615/nanomechanicsscitechnolintj.v4.i1.20 ◽

2013 ◽

Vol 4 (1) ◽

pp. 29-45

Author(s):

Sumit Sharma ◽

Rakesh Chandra ◽

Pramod Kumar ◽

Navin Kumar

Keyword(s):

Molecular Dynamics ◽

Carbon Nanotube ◽

Molecular Dynamics Simulation ◽

Dynamics Simulation ◽

Nanotube Composites ◽

Carbon Nanotube Composites

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Tracking the interaction between single-wall carbon nanotube and SARS-Cov-2 spike glycoprotein: A molecular dynamics simulations study

Computers in Biology and Medicine ◽

10.1016/j.compbiomed.2021.104692 ◽

2021 ◽

pp. 104692

Author(s):

Masoumeh Jomhori Baloch ◽

Hamid Mosaddeghi ◽

Hamidreza Farzin

Keyword(s):

Molecular Dynamics ◽

Carbon Nanotube ◽

Molecular Dynamics Simulations ◽

Spike Glycoprotein ◽

Single Wall Carbon Nanotube ◽

Single Wall Carbon ◽

Dynamics Simulations

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Simulations of the Quartz(101̅1)/Water Interface: A Comparison of Classical Force Fields, Ab Initio Molecular Dynamics, and X-ray Reflectivity Experiments

The Journal of Physical Chemistry C ◽

10.1021/jp109446d ◽

2011 ◽

Vol 115 (5) ◽

pp. 2076-2088 ◽

Author(s):

A. A. Skelton ◽

P. Fenter ◽

J. D. Kubicki ◽

D. J. Wesolowski ◽

P. T. Cummings

Keyword(s):

Molecular Dynamics ◽

Ab Initio ◽

Force Fields ◽

Ab Initio Molecular Dynamics ◽

Water Interface ◽

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Water desalination by a designed nanofilter of graphene-charged carbon nanotube: A molecular dynamics study

Desalination ◽

10.1016/j.desal.2015.02.040 ◽

2015 ◽

Vol 365 ◽

pp. 176-181 ◽

Author(s):

S. Rikhtehgaran ◽

A. Lohrasebi

Keyword(s):

Molecular Dynamics ◽

Carbon Nanotube ◽

Water Desalination

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Alumina(0001)/Water Interface: Structural Properties and Infrared Spectra from First-Principles Molecular Dynamics Simulations

The Journal of Physical Chemistry C ◽

10.1021/jp4123002 ◽

2014 ◽

Vol 118 (17) ◽

pp. 8944-8951 ◽

Author(s):

Patrick Huang ◽

Tuan Anh Pham ◽

Giulia Galli ◽

Eric Schwegler

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulations ◽

Structural Properties ◽

Infrared Spectra ◽

First Principles ◽

Water Interface ◽

Dynamics Simulations ◽

First Principles Molecular Dynamics

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Molecular dynamics of a water jet from a carbon nanotube

Physical Review E ◽

10.1103/physreve.79.046307 ◽

2009 ◽

Vol 79 (4) ◽

Author(s):

Itsuo Hanasaki ◽

Toru Yonebayashi ◽

Satoyuki Kawano

Keyword(s):

Molecular Dynamics ◽

Carbon Nanotube ◽

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A molecular dynamics study on carbon-nanotube oscillators with intertube gaps

Physica E Low-dimensional Systems and Nanostructures ◽

10.1016/j.physe.2012.06.005 ◽

2012 ◽

Vol 44 (10) ◽

pp. 2027-2031 ◽

Author(s):

Ki-Sub Kim ◽

Jungcheol Park ◽

Ho Jung Hwang ◽

Jeong Won Kang

Keyword(s):

Molecular Dynamics ◽

Carbon Nanotube

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The properties of asphaltene at the oil-water interface: A molecular dynamics simulation

Colloids and Surfaces A Physicochemical and Engineering Aspects ◽

10.1016/j.colsurfa.2016.11.066 ◽

2017 ◽

Vol 515 ◽

pp. 34-40 ◽

Author(s):

Guochun Lv ◽

Fengfeng Gao ◽

Guokui Liu ◽

Shiling Yuan

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Dynamics Simulation ◽

Water Interface ◽

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Interaction of Carbon Nanotube with Ethylene Glycol–Water Binary Mixture: A Molecular Dynamics and Density Functional Theory Investigation

The Journal of Physical Chemistry C ◽

10.1021/jp206882f ◽

2012 ◽

Vol 116 (7) ◽

pp. 4365-4373 ◽

Author(s):

K. Balamurugan ◽

Prathab Baskar ◽

R. Mahesh Kumar ◽

Sumitesh Das ◽

Venkatesan Subramanian

Keyword(s):

Molecular Dynamics ◽

Density Functional Theory ◽

Carbon Nanotube ◽

Binary Mixture ◽

Ethylene Glycol ◽

Density Functional ◽

Functional Theory

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