J. David Schall

Predictions of Enhanced Chemical Reactivity at Regions of Local Conformational Strain on Carbon Nanotubes:  Kinky Chemistry

Deepak Srivastava, Donald W. Brenner, J. David Schall et al. · The Journal of Physical Chemistry B · 1999 · 244 citations

Engineering, Controlled Deformations, Computational Chemistry +21

Review of force fields and intermolecular potentials used in atomistic computational materials research

Judith A. Harrison, J. David Schall, Sabina Maskey et al. · Applied Physics Reviews · 2018 · 187 citations

Engineering, Material Simulation, Computational Chemistry +19

Effects of Adhesion and Transfer Film Formation on the Tribology of Self-Mated DLC Contacts

J. David Schall, Guangtu Gao, Judith A. Harrison · The Journal of Physical Chemistry C · 2009 · 164 citations

Tribological Coating, Engineering, Transfer Film Formation +19

Atomic-Scale Wear of Amorphous Hydrogenated Carbon during Intermittent Contact: A Combined Study Using Experiment, Simulation, and Theory

Vahid Vahdat, Kathleen E. Ryan, Pamela L. Keating et al. · ACS Nano · 2014 · 67 citations

Engineering, Mechanical Engineering, Intermittent-contact Afm Mode +22

Elastic constants of silicon materials calculated as a function of temperature using a parametrization of the second-generation reactive empirical bond-order potential

J. David Schall, Guangtu Gao, Judith A. Harrison · Physical Review B · 2008 · 60 citations

Engineering, New Parametrization, Computational Chemistry +19