Works (8)
Updated: July 5th, 2023 16:02
2005 journal article
Ad hoc continuum-atomistic thermostat for modeling heat flow in molecular dynamics simulations
MOLECULAR SIMULATION, 31(4), 283–288.
author keywords: molecular dynamics simulation; molecular heat flow; continuum-atomistic thermostat; continuum
Source: Web Of Science
Added: August 6, 2018
2005 journal article
Self-consistent tight binding model adapted for hydrocarbon systems
MOLECULAR SIMULATION, 31(8), 585–595.
author keywords: fitting eigenvalue spectra; fitting electron densities; DF-TB
UN Sustainable Development Goal Categories
7. Affordable and Clean Energy
(Web of Science)
Source: Web Of Science
Added: August 6, 2018
2004 journal article
A self-consistent tight binding model for hydrocarbon systems: application to quantum transport simulation
JOURNAL OF PHYSICS-CONDENSED MATTER, 16(39), 6851–6866.
open access via citeseerx.ist.psu.edu (repository)
UN Sustainable Development Goal Categories
7. Affordable and Clean Energy
(Web of Science)
Source: Web Of Science
Added: August 6, 2018
2004 journal article
Atomistic simulation of the influence of pre-existing stress on the interpretation of nanoindentation data
JOURNAL OF MATERIALS RESEARCH, 19(11), 3172–3180.
Source: Web Of Science
Added: August 6, 2018
2003 journal article
Convergence acceleration scheme for self-consistent orthogonal-basis-set electronic structure methods
MOLECULAR SIMULATION, 29(4), 269–286.
author keywords: convergence acceleration scheme; Newton-Raphson algorithm; self-consistent orthogonal-basis-set electronic structure method; HOMO-LUMO gap
UN Sustainable Development Goal Categories
7. Affordable and Clean Energy
(Web of Science)
Source: Web Of Science
Added: August 6, 2018
2002 journal article
Atomic modeling of carbon-based nanostructures as a tool for developing new materials and technologies
Computer Modeling in Engineering & Sciences : CMES, 3(5), 643–673.
Source: NC State University Libraries
Added: August 6, 2018
2000 article
Molecular dynamics simulations of carbon nanotube rolling and sliding on graphite
MOLECULAR SIMULATION, Vol. 25, pp. 73–79.
author keywords: nanotube; nanotribology; nanomanipulation
UN Sustainable Development Goal Categories
7. Affordable and Clean Energy
(OpenAlex)
Source: Web Of Science
Added: August 6, 2018
1999 journal article
Predictions of enhanced chemical reactivity at regions of local conformational strain on carbon nanotubes: Kinky chemistry
JOURNAL OF PHYSICAL CHEMISTRY B, 103(21), 4330–4337.
Source: Web Of Science
Added: August 6, 2018
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