James D. Schall

Schall, J. D., Padgett, C. W., & Brenner, D. W. (2005). Ad hoc continuum-atomistic thermostat for modeling heat flow in molecular dynamics simulations. MOLECULAR SIMULATION, 31(4), 283–288. https://doi.org/10.1080/08927020512331336898

Areshkin, D. A., Shenderova, O. A., Schall, J. D., & Brenner, D. W. (2005). Self-consistent tight binding model adapted for hydrocarbon systems. MOLECULAR SIMULATION, 31(8), 585–595. https://doi.org/10.1080/08927020500044988

Areshkin, D. A., Shenderova, O. A., Schall, J. D., Adiga, S. P., & Brenner, D. W. (2004). A self-consistent tight binding model for hydrocarbon systems: application to quantum transport simulation. JOURNAL OF PHYSICS-CONDENSED MATTER, 16(39), 6851–6866. https://doi.org/10.1088/0953-8984/16/39/018

Schall, J. D., & Brenner, D. W. (2004). Atomistic simulation of the influence of pre-existing stress on the interpretation of nanoindentation data. JOURNAL OF MATERIALS RESEARCH, 19(11), 3172–3180. https://doi.org/10.1557/JMR.2004.0410

Areshkin, D. A., Shenderova, O. A., Schall, J. D., & Brenner, D. W. (2003). Convergence acceleration scheme for self-consistent orthogonal-basis-set electronic structure methods. MOLECULAR SIMULATION, 29(4), 269–286. https://doi.org/10.1080/0892702031000092197

Brenner, D. W., Shenderova, O. A., Areshkin, D. A., Schall, J. D., & Frankland, S. J. V. (2002). 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.

Schall, J. D., & Brenner, D. W. (2000). Molecular dynamics simulations of carbon nanotube rolling and sliding on graphite. MOLECULAR SIMULATION, Vol. 25, pp. 73–79. https://doi.org/10.1080/08927020008044113

Srivastava, D., Brenner, D. W., Schall, J. D., Ausman, K. D., Yu, M. F., & Ruoff, R. S. (1999). 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. https://doi.org/10.1021/jp990882s