Boris Ni

University of North Carolina at Charlotte — United States

Materials Science · Physical Sciences

15h-index4.8kcitations24works0.02yr avg
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Research Topics

Diamond and Carbon-based Materials Research(11), Ion-surface interactions and analysis(8), Carbon Nanotubes in Composites(7), Force Microscopy Techniques and Applications(5), Advanced Chemical Physics Studies(4)

Publications24 total

Reduced atomic pair-interaction design (RAPID) model for simulations of proteins
The Journal of Chemical Physics·2013· 8 citedOpen Access
Effect of atom- and group-based truncations on biomolecules simulated with reaction-field electrostatics
Journal of Molecular Modeling·2011· 18 citedOpen Access
Thermal transport in polyethylene and at polyethylene–diamond interfaces investigated using molecular dynamics simulation
Journal of Physics Condensed Matter·2009· 67 cited
Thermal conductance across grain boundaries in diamond from molecular dynamics simulation
Journal of Applied Physics·2007· 55 cited
Protonolysis of the Hg−C Bond of Chloromethylmercury and Dimethylmercury. A DFT and QTAIM Study
The Journal of Physical Chemistry A·2006· 46 cited
Displacement of Cu(II) by Ag(I) in Solvated Metal Sulfides. A DFT and AIM Computational Study
The Journal of Physical Chemistry A·2005· 1 cited
Effect of Filling on the Compressibility of Carbon Nanotubes: Predictions from Molecular Dynamics Simulations
Journal of Nanoscience and Nanotechnology·2005· 32 cited
Density Functional Theory and QT Atoms-in-Molecules Study on the Hydration of Cu(I) and Ag(I) Ions and Sulfides
The Journal of Physical Chemistry A·2005· 7 cited
A reactive empirical bond order (REBO) potential for hydrocarbon–oxygen interactions
Journal of Physics Condensed Matter·2004· 118 cited
Modification of nanotube-based materials by ion beam deposition: Computational studies
2004
An ab initio and AIM Study on the Molecular Structure and Stability of Small Cu<sub>x</sub>S<sub>y</sub><sup>‐</sup> Clusters.
ChemInform·2003
An ab Initio and AIM Study on the Molecular Structure and Stability of Small Cu<i><sub>x</sub></i>S<i><sub>y</sub></i><sup>-</sup>Clusters
The Journal of Physical Chemistry A·2003· 15 cited
Atoms in Molecules Computational Study on the Molecular Structure of (Cu<sub>2</sub>S)<i><sub>n</sub></i>Clusters
The Journal of Physical Chemistry A·2003· 17 cited
Compression of Carbon Nanotubes Filled with<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:msub><mml:mrow><mml:mi>C</mml:mi></mml:mrow><mml:mrow><mml:mn>60</mml:mn></mml:mrow></mml:msub></mml:mrow></mml:math>,<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:msub><mml:mrow><mml:mi>CH</mml:mi></mml:mrow><mml:mrow><mml:mn>4</mml:mn></mml:mrow></mml:msub></mml:mrow></mml:math>, or Ne: Predictions from Molecular Dynamics Simulations
Physical Review Letters·2002· 224 cited
Study of angular influence of C3H5+ ion deposition on polystyrene surfaces using molecular dynamics simulations
Journal of Vacuum Science & Technology A Vacuum Surfaces and Films·2002· 14 cited
A second-generation reactive empirical bond order (REBO) potential energy expression for hydrocarbons
Journal of Physics Condensed Matter·2002· 3.7k citedOpen Access
A Combined Computational and Experimental Study of Ion-Beam Modification of Carbon Nanotube Bundles
The Journal of Physical Chemistry B·2001· 121 cited
Tribological properties of carbon nanotube bundles predicted from atomistic simulations
Surface Science·2001· 104 cited
Chemical functionalization and modification of carbon nanotubes through ion bombardment
AIP conference proceedings·2001
Comparison of growth of hydrocarbon thin films by molecular-beam and cluster-beam deposition: atomistic simulations
Thin Solid Films·2001· 10 cited
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Frequent Co-authors

Susan B. Sinnott(13), James R. Kramer(6), Nick Henry Werstiuk(6), Judith A. Harrison(3), Muthu B. J. Wijesundara(3), Luke Hanley(3), Paul T. Mikulski(2), Taku Watanabe(2), Simon R. Phillpot(2), Yanhong Hu(2), Andrij Baumketner(2), Donald W. Brenner(1), Olga Shenderova(1), Steven J. Stuart(1), Rodney Andrews(1), David A. Jacques(1), Dali Qian(1), Yongsoo Choi(1), Kiho Lee(1), Yuan Ji(1)