Ewald summation on a helix: A route to self-consistent charge density-functional based tight-binding objective molecular dynamics

Electrically Active Screw Dislocations in Helical ZnO and Si Nanowires and Nanotubes

(2012) Evgeniya Akatyeva et al.   ACS Nano

SCC-DFTB Parametrization for Boron and Boranes

(2012) Bernhard Grundkötter-Stock et al.   Journal of Chemical Theory and Computation

Spin-selective transport through helical molecular systems

(2012) R. Gutierrez et al.   PHYSICAL REVIEW B

Eshelby Twist and Magic Helical Zinc Oxide Nanowires and Nanotubes

(2012) E. Akatyeva et al.   PHYSICAL REVIEW LETTERS

Length Scale Dependence of DNA Mechanical Properties

(2012) Agnes Noy et al.   PHYSICAL REVIEW LETTERS

Frontiers in Molecular Dynamics Simulations of DNA

(2011) Alberto Pérez et al.   ACCOUNTS OF CHEMICAL RESEARCH

DFTB3: Extension of the Self-Consistent-Charge Density-Functional Tight-Binding Method (SCC-DFTB)

(2011) Michael Gaus et al.   Journal of Chemical Theory and Computation

Nanoscale helices from inorganic materials

(2011) Ming Yang et al.   JOURNAL OF MATERIALS CHEMISTRY

Screw Dislocations in ⟨100⟩ Silicon Nanowires: An Objective Molecular Dynamics Study

(2011) I. Nikiforov et al.   Journal of Physical Chemistry Letters

Ewald method for polytropic potentials in arbitrary dimensionality

(2011) O.N. Osychenko et al.   MOLECULAR PHYSICS

Helical BN and ZnO nanotubes with intrinsic twisting: An objective molecular dynamics study

(2011) D.-B. Zhang et al.   PHYSICAL REVIEW B

Bending Ultrathin Graphene at the Margins of Continuum Mechanics

(2011) D.-B. Zhang et al.   PHYSICAL REVIEW LETTERS

Effective-Tensional-Strain-Driven Bandgap Modulations in Helical Graphene Nanoribbons

(2011) Dong-Bo Zhang et al.   Small

Electrostatic-driven pattern formation in fibers, nanotubes and pores

(2011) Francisco J. Solis et al.   Soft Matter

Effective Strain in Helical Rippled Carbon Nanotubes: A Unifying Concept for Understanding Electromechanical Response

(2010) Dong-Bo Zhang et al.   ACS Nano

A New Twist on Nanowire Formation: Screw-Dislocation-Driven Growth of Nanowires and Nanotubes

(2010) Song Jin et al.   Journal of Physical Chemistry Letters

Symmetries of interacting helices of charge

(2010) Jonathan Landy et al.   PHYSICAL REVIEW E

Chiral Charge-Density Waves

(2010) J. Ishioka et al.   PHYSICAL REVIEW LETTERS

Dislocation onset and nearly axial glide in carbon nanotubes under torsion

(2009) D.-B. Zhang et al.   JOURNAL OF CHEMICAL PHYSICS

Electromechanical characterization of carbon nanotubes in torsion via symmetry adapted tight-binding objective molecular dynamics

(2009) D.-B. Zhang et al.   PHYSICAL REVIEW B

Stability of polycrystalline and wurtzite Si nanowires via symmetry-adapted tight-binding objective molecular dynamics

(2008) D.-B. Zhang et al.   JOURNAL OF CHEMICAL PHYSICS

Incomplete Bessel, generalized incomplete gamma, or leaky aquifer functions

(2007) Frank E. Harris   JOURNAL OF COMPUTATIONAL AND APPLIED MATHEMATICS