| Shock-induced shear bands in an energetic molecular crystal: Application of shock-front absorbing boundary conditions to molecular dynamics simulations MJ Cawkwell, TD Sewell, L Zheng, DL Thompson Physical Review B—Condensed Matter and Materials Physics 78 (1), 014107, 2008 | 162 | 2008 |
| Homogeneous dislocation nucleation in cyclotrimethylene trinitramine under shock loading MJ Cawkwell, KJ Ramos, DE Hooks, TD Sewell Journal of Applied Physics 107 (6), 2010 | 125 | 2010 |
| A dislocation density-based continuum model of the anisotropic shock response of single crystal α-cyclotrimethylene trinitramine DJ Luscher, FL Addessio, MJ Cawkwell, KJ Ramos Journal of the Mechanics and Physics of Solids 98, 63-86, 2017 | 124 | 2017 |
| Origin of brittle cleavage in iridium MJ Cawkwell, D Nguyen-Manh, C Woodward, DG Pettifor, V Vitek Science 309 (5737), 1059-1062, 2005 | 100 | 2005 |
| Energy conserving, linear scaling Born-Oppenheimer molecular dynamics MJ Cawkwell, A Niklasson The Journal of chemical physics 137 (13), 2012 | 80 | 2012 |
| Interaction and concerted diffusion of lithium in a (5, 5) carbon nanotube M Khantha, NA Cordero, JA Alonso, M Cawkwell, LA Girifalco Physical Review B—Condensed Matter and Materials Physics 78 (11), 115430, 2008 | 79 | 2008 |
| Anomalous hardening under shock compression in (021)-oriented cyclotrimethylene trinitramine single crystals KJ Ramos, DE Hooks, TD Sewell, MJ Cawkwell Journal of Applied Physics 108 (6), 2010 | 68 | 2010 |
| Elasticity of crystalline molecular explosives DE Hooks, KJ Ramos, CA Bolme, MJ Cawkwell Propellants, Explosives, Pyrotechnics 40 (3), 333-350, 2015 | 66 | 2015 |
| Examining the chemical and structural properties that influence the sensitivity of energetic nitrate esters VW Manner, MJ Cawkwell, EM Kober, TW Myers, GW Brown, H Tian, ... Chemical science 9 (15), 3649-3663, 2018 | 65 | 2018 |
| Sources of variation in drop-weight impact sensitivity testing of the explosive pentaerythritol tetranitrate FW Marrs, VW Manner, AC Burch, JD Yeager, GW Brown, LM Kay, ... Industrial & Engineering Chemistry Research 60 (13), 5024-5033, 2021 | 51 | 2021 |
| Generalized extended lagrangian born-oppenheimer molecular dynamics A Niklasson, MJ Cawkwell The Journal of chemical physics 141 (16), 2014 | 50 | 2014 |
| A single-crystal model for the high-strain rate deformation of cyclotrimethylene trinitramine including phase transformations and plastic slip FL Addessio, DJ Luscher, MJ Cawkwell, KJ Ramos Journal of Applied Physics 121 (18), 2017 | 47 | 2017 |
| A simple model of atomic interactions in noble metals based explicitly on electronic structure AP Sutton, TN Todorov, MJ Cawkwell, J Hoekstra Philosophical Magazine A 81 (7), 1833-1848, 2001 | 47 | 2001 |
| Numerical optimization of density functional tight binding models: application to molecules containing carbon, hydrogen, nitrogen, and oxygen A Krishnapriyan, P Yang, AMN Niklasson, MJ Cawkwell Journal of Chemical Theory and Computation 13 (12), 6191-6200, 2017 | 45 | 2017 |
| Ab initio phase diagram of iridium L Burakovsky, N Burakovsky, MJ Cawkwell, DL Preston, D Errandonea, ... Physical Review B 94 (9), 094112, 2016 | 43 | 2016 |
| Ranking the drop-weight impact sensitivity of common explosives using Arrhenius chemical rates computed from quantum molecular dynamics simulations MJ Cawkwell, VW Manner The Journal of Physical Chemistry A 124 (1), 74-81, 2019 | 42 | 2019 |
| Construction, assessment, and application of a bond-order potential for iridium MJ Cawkwell, D Nguyen-Manh, DG Pettifor, V Vitek Physical Review B—Condensed Matter and Materials Physics 73 (6), 064104, 2006 | 42 | 2006 |
| Graph-based linear scaling electronic structure theory A Niklasson, SM Mniszewski, CFA Negre, MJ Cawkwell, PJ Swart, ... The Journal of Chemical Physics 144 (23), 2016 | 41 | 2016 |
| Equations of state for the α and γ polymorphs of cyclotrimethylene trinitramine MJ Cawkwell, DJ Luscher, FL Addessio, KJ Ramos Journal of Applied Physics 119 (18), 2016 | 39 | 2016 |
| Understanding explosive sensitivity with effective trigger linkage kinetics MJ Cawkwell, J Davis, N Lease, FW Marrs, A Burch, S Ferreira, ... ACS physical chemistry Au 2 (5), 448-458, 2022 | 33 | 2022 |
