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Modeling of Thermal Transport in Pillared-Graphene Architectures

ACS nano, 2010-02, Vol.4 (2), p.1153-1161

2010

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A Molecular Dynamics Study of Epoxy-Based Networks: Cross-Linking Procedure and Prediction of Molecular and Material Properties

Macromolecules, 2008-09, Vol.41 (18), p.6837-6842

2008

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Preferential Binding of Peptides to Graphene Edges and Planes

Journal of the American Chemical Society, 2011-09, Vol.133 (37), p.14480-14483

2011

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Structure of a Peptide Adsorbed on Graphene and Graphite

Nano letters, 2012-05, Vol.12 (5), p.2342-2346

2012

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Adsorption mechanism of single amino acid and surfactant molecules to Au {111} surfaces in aqueous solution: design rules for metal-binding molecules

Soft matter, 2011-01, Vol.7 (5), p.2113-2120

2011

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Influence of the Shape of Nanostructured Metal Surfaces on Adsorption of Single Peptide Molecules in Aqueous Solution

Small (Weinheim an der Bergstrasse, Germany), 2012-04, Vol.8 (7), p.1049-1059

2012

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Nature of Molecular Interactions of Peptides with Gold, Palladium, and Pd−Au Bimetal Surfaces in Aqueous Solution

Journal of the American Chemical Society, 2009-07, Vol.131 (28), p.9704-9714

2009

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Biomimetic Chemosensor: Designing Peptide Recognition Elements for Surface Functionalization of Carbon Nanotube Field Effect Transistors

ACS nano, 2010-01, Vol.4 (1), p.452-458

2010

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Thermal Rectification in Three-Dimensional Asymmetric Nanostructure

Nano letters, 2012-07, Vol.12 (7), p.3491-3496

2012

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Prediction of 3D elastic moduli and Poisson’s ratios of pillared graphene nanostructures

Carbon (New York), 2012-02, Vol.50 (2), p.603-611

2012

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Vertex dependent dynamic response of a connected Kagome artificial spin ice

Applied physics letters, 2021-01, Vol.118 (4)

2021

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Quantized prediction of coefficients of thermal expansion of 3-D CNT-Graphene junctioned carbon nanostructures

Composites science and technology, 2018-09, Vol.166, p.46-53

2018

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Conformational response to solvent interaction and temperature of a protein (Histone h3.1) by a multi-grained monte carlo simulation

PloS one, 2013-10, Vol.8 (10), p.e76069-e76069

2013

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In Silico Discovery and Validation of Neuropeptide-Y-Binding Peptides for Sensors

The journal of physical chemistry. B, 2020-01, Vol.124 (1), p.61-68

2020

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A hierarchical coarse-grained (all-atom-to-all-residue) computer simulation approach: self-assembly of peptides

PloS one, 2013-08, Vol.8 (8), p.e70847-e70847

2013

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MD simulations of molybdenum disulphide (MoS 2): Force-field parameterization and thermal transport behavior

Computational materials science, 2010-03, Vol.48 (1), p.101-108

2010

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Modeling of Thermal Conductance at Transverse CNT−CNT Interfaces

Journal of physical chemistry. C, 2010-10, Vol.114 (39), p.16223-16228

2010

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Importance of Interfaces in Governing Thermal Transport in Composite Materials: Modeling and Experimental Perspectives

ACS applied materials & interfaces, 2012-02, Vol.4 (2), p.545-563

2012

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Thermal anisotropy in nano-crystalline MoS2 thin films

Physical chemistry chemical physics : PCCP, 2014-01, Vol.16 (3), p.18-114

2014

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Biotic–Abiotic Interactions: Factors that Influence Peptide–Graphene Interactions

ACS applied materials & interfaces, 2015-09, Vol.7 (36), p.20447-20453

2015

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Random coil to globular thermal response of a protein (H3.1) with three knowledge-based coarse-grained potentials

PloS one, 2012-11, Vol.7 (11), p.e49352-e49352

2012

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Polarization at metal-biomolecular interfaces in solution

Journal of the Royal Society interface, 2011-02, Vol.8 (55), p.220

2011

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Variation in structure of a protein (H2AX) with knowledge-based interactions

PloS one, 2013-05, Vol.8 (5), p.e64507-e64507

2013

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Understanding thermal conductance across multi-wall carbon nanotube contacts: Role of nanotube curvature

Carbon (New York), 2017-04, Vol.114, p.15-22

2017

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Toward Understanding Amino Acid Adsorption at Metallic Interfaces: A Density Functional Theory Study

ACS applied materials & interfaces, 2009-02, Vol.1 (2), p.388-392

2009

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Modeling of Thermal Transport in Pillared-Graphene Architectures

A Molecular Dynamics Study of Epoxy-Based Networks: Cross-Linking Procedure and Prediction of Molecular and Material Properties

Preferential Binding of Peptides to Graphene Edges and Planes

Structure of a Peptide Adsorbed on Graphene and Graphite

Adsorption mechanism of single amino acid and surfactant molecules to Au {111} surfaces in aqueous solution: design rules for metal-binding molecules

Influence of the Shape of Nanostructured Metal Surfaces on Adsorption of Single Peptide Molecules in Aqueous Solution

Nature of Molecular Interactions of Peptides with Gold, Palladium, and Pd−Au Bimetal Surfaces in Aqueous Solution

Biomimetic Chemosensor: Designing Peptide Recognition Elements for Surface Functionalization of Carbon Nanotube Field Effect Transistors

Thermal Rectification in Three-Dimensional Asymmetric Nanostructure

Prediction of 3D elastic moduli and Poisson’s ratios of pillared graphene nanostructures

Vertex dependent dynamic response of a connected Kagome artificial spin ice

Quantized prediction of coefficients of thermal expansion of 3-D CNT-Graphene junctioned carbon nanostructures

Conformational response to solvent interaction and temperature of a protein (Histone h3.1) by a multi-grained monte carlo simulation

In Silico Discovery and Validation of Neuropeptide-Y-Binding Peptides for Sensors

A hierarchical coarse-grained (all-atom-to-all-residue) computer simulation approach: self-assembly of peptides

MD simulations of molybdenum disulphide (MoS 2): Force-field parameterization and thermal transport behavior

Modeling of Thermal Conductance at Transverse CNT−CNT Interfaces

Importance of Interfaces in Governing Thermal Transport in Composite Materials: Modeling and Experimental Perspectives

Thermal anisotropy in nano-crystalline MoS2 thin films

Biotic–Abiotic Interactions: Factors that Influence Peptide–Graphene Interactions

Random coil to globular thermal response of a protein (H3.1) with three knowledge-based coarse-grained potentials

Polarization at metal-biomolecular interfaces in solution

Variation in structure of a protein (H2AX) with knowledge-based interactions

Understanding thermal conductance across multi-wall carbon nanotube contacts: Role of nanotube curvature

Toward Understanding Amino Acid Adsorption at Metallic Interfaces: A Density Functional Theory Study

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