@article{schall_padgett_brenner_2005, title={Ad hoc continuum-atomistic thermostat for modeling heat flow in molecular dynamics simulations}, volume={31}, DOI={10.1080/08927020512331336898}, number={4}, journal={Molecular Simulation}, author={Schall, J. D. and Padgett, C. W. and Brenner, D. W.}, year={2005}, pages={283–288} } @article{areshkin_shenderova_schall_brenner_2005, title={Self-consistent tight binding model adapted for hydrocarbon systems}, volume={31}, DOI={10.1080/08927020500044988}, number={8}, journal={Molecular Simulation}, author={Areshkin, D. A. and Shenderova, O. A. and Schall, J. D. and Brenner, D. W.}, year={2005}, pages={585–595} } @article{areshkin_shenderova_schall_adiga_brenner_2004, title={A self-consistent tight binding model for hydrocarbon systems: application to quantum transport simulation}, volume={16}, DOI={10.1088/0953-8984/16/39/018}, number={39}, journal={Journal of Physics. Condensed Matter}, author={Areshkin, D. A. and Shenderova, O. A. and Schall, J. D. and Adiga, S. P. and Brenner, D. W.}, year={2004}, pages={6851–6866} } @article{schall_brenner_2004, title={Atomistic simulation of the influence of pre-existing stress on the interpretation of nanoindentation data}, volume={19}, DOI={10.1557/JMR.2004.0410}, number={11}, journal={Journal of Materials Research}, author={Schall, J. D. and Brenner, D. W.}, year={2004}, pages={3172–3180} } @article{areshkin_shenderova_schall_brenner_2003, title={Convergence acceleration scheme for self-consistent orthogonal- basis-set electronic structure methods}, volume={29}, DOI={10.1080/0892702031000092197}, number={4}, journal={Molecular Simulation}, author={Areshkin, D. A. and Shenderova, O. A. and Schall, J. D. and Brenner, D. W.}, year={2003}, pages={269–286} } @article{brenner_shenderova_areshkin_schall_frankland_2002, title={Atomic modeling of carbon-based nanostructures as a tool for developing new materials and technologies}, volume={3}, number={5}, journal={Computer Modeling in Engineering & Sciences : CMES}, author={Brenner, D. W. and Shenderova, O. A. and Areshkin, D. A. and Schall, J. D. and Frankland, S. J. V.}, year={2002}, pages={643–673} } @article{schall_brenner_2000, title={Molecular dynamics simulations of carbon nanotube rolling and sliding on graphite}, volume={25}, DOI={10.1080/08927020008044113}, number={1-2}, journal={Molecular Simulation}, author={Schall, J. D. and Brenner, D. W.}, year={2000}, pages={73–79} } @article{srivastava_brenner_schall_ausman_yu_ruoff_1999, title={Predictions of enhanced chemical reactivity at regions of local conformational strain on carbon nanotubes: Kinky chemistry}, volume={103}, DOI={10.1021/jp990882s}, number={21}, journal={Journal of Physical Chemistry. B, Condensed Matter, Materials, Surfaces, Interfaces & Biophysical}, author={Srivastava, D. and Brenner, D. W. and Schall, J. D. and Ausman, K. D. and Yu, M. F. and Ruoff, R. S.}, year={1999}, pages={4330–4337} }