| Ewald summation for molecular simulations BA Wells, AL Chaffee Journal of chemical theory and computation 11 (8), 3684-3695, 2015 | 194 | 2015 |
| Charge equilibration based on atomic ionization in metal–organic frameworks BA Wells, C De Bruin-Dickason, AL Chaffee The Journal of Physical Chemistry C 119 (1), 456-466, 2015 | 56 | 2015 |
| Molecular dynamics simulations on scattering of single Ar, N2, and CO2 molecules on realistic surfaces J Reinhold, T Veltzke, B Wells, J Schneider, F Meierhofer, LC Ciacchi, ... Computers & Fluids 97, 31-39, 2014 | 30 | 2014 |
| Modeling gas separation in metal-organic frameworks BA Wells, AL Chaffee Adsorption 17 (1), 255-264, 2011 | 30 | 2011 |
| Modeling gas adsorption in metal organic frameworks BA Wells, Z Liang, M Marshall, AL Chaffee Energy Procedia 1 (1), 1273-1280, 2009 | 15 | 2009 |
| Simulations of model metal-organic frameworks for the separation of carbon dioxide BA Wells, PA Webley, AL Chaffee Energy Procedia 4, 568-575, 2011 | 8 | 2011 |
| Gas binding to Au13, Au12Pd, and Au11Pd2 nanoclusters in the context of catalytic oxidation and reduction reactions BA Wells, AL Chaffee The Journal of chemical physics 129 (16), 2008 | 8 | 2008 |
| Simulation as a tool in the development of metal-organic frameworks for the separation of carbon dioxide BA Wells, AL Chaffee | 1 | 2011 |
