| Comparison of atomic-level simulation methods for computing thermal conductivity PK Schelling, SR Phillpot, P Keblinski Physical Review B 65 (14), 144306, 2002 | 1947 | 2002 |
| Phonon wave-packet dynamics at semiconductor interfaces by molecular-dynamics simulation PK Schelling, SR Phillpot, P Keblinski Applied Physics Letters 80 (14), 2484-2486, 2002 | 416 | 2002 |
| Managing heat for electronics PK Schelling, L Shi, KE Goodson Materials Today 8 (6), 30-35, 2005 | 333 | 2005 |
| Kapitza conductance and phonon scattering at grain boundaries by simulation PK Schelling, SR Phillpot, P Keblinski Journal of Applied Physics 95 (11), 6082-6091, 2004 | 323 | 2004 |
| Thermal expansion of carbon structures PK Schelling, P Keblinski Physical Review B 68 (3), 035425, 2003 | 263 | 2003 |
| Kapitza conductance of silicon–amorphous polyethylene interfaces by molecular dynamics simulations M Hu, P Keblinski, PK Schelling Physical Review B—Condensed Matter and Materials Physics 79 (10), 104305, 2009 | 240 | 2009 |
| Mechanism of the cubic‐to‐tetragonal phase transition in zirconia and yttria‐stabilized zirconia by molecular‐dynamics simulation PK Schelling, SR Phillpot, D Wolf Journal of the American Ceramic Society 84 (7), 1609-1619, 2001 | 225 | 2001 |
| Thermal transport and grain boundary conductance in ultrananocrystalline diamond thin films MA Angadi, T Watanabe, A Bodapati, X Xiao, O Auciello, JA Carlisle, ... Journal of Applied Physics 99 (11), 2006 | 196 | 2006 |
| Mechanism of thermal transport in zirconia and yttria‐stabilized zirconia by molecular‐dynamics simulation PK Schelling, SR Phillpot Journal of the American Ceramic Society 84 (12), 2997-3007, 2001 | 191 | 2001 |
| Optimum pyrochlore compositions for low thermal conductivity PK Schelling‖, SR Phillpot¶, RW Grimes Philosophical magazine letters 84 (2), 127-137, 2004 | 175 | 2004 |
| Vibrations and thermal transport in nanocrystalline silicon A Bodapati, PK Schelling, SR Phillpot, P Keblinski Physical Review B—Condensed Matter and Materials Physics 74 (24), 245207, 2006 | 144 | 2006 |
| Towards more accurate molecular dynamics calculation of thermal conductivity: Case study of GaN bulk crystals XW Zhou, S Aubry, RE Jones, A Greenstein, PK Schelling Physical Review B—Condensed Matter and Materials Physics 79 (11), 115201, 2009 | 140 | 2009 |
| Failure of semiclassical models to describe resistivity of nanometric, polycrystalline tungsten films D Choi, X Liu, PK Schelling, KR Coffey, K Barmak Journal of Applied Physics 115 (10), 2014 | 139 | 2014 |
| Thermal transport properties of uranium dioxide by molecular dynamics simulations T Watanabe, SB Sinnott, JS Tulenko, RW Grimes, PK Schelling, ... Journal of Nuclear Materials 375 (3), 388-396, 2008 | 136 | 2008 |
| Heat transfer mechanism across few-layer graphene by molecular dynamics M Shen, PK Schelling, P Keblinski Physical Review B—Condensed Matter and Materials Physics 88 (4), 045444, 2013 | 111 | 2013 |
| Scattering of phonons from a high-energy grain boundary in silicon: Dependence on angle of incidence C Kimmer, S Aubry, A Skye, PK Schelling Physical Review B—Condensed Matter and Materials Physics 75 (14), 144105, 2007 | 83 | 2007 |
| Multiscale simulation of phonon transport in superlattices PK Schelling, SR Phillpot Journal of Applied Physics 93 (9), 5377-5387, 2003 | 83 | 2003 |
| Density functional theory study of water adsorption at reduced and stoichiometric ceria (111) surfaces S Kumar, PK Schelling The Journal of chemical physics 125 (20), 2006 | 82 | 2006 |
| Self-consistent tight-binding atomic-relaxation model of titanium dioxide PK Schelling, N Yu, JW Halley Physical Review B 58 (3), 1279, 1998 | 79 | 1998 |
| Thermal resistivity of Si–Ge alloys by molecular-dynamics simulation A Skye, PK Schelling Journal of Applied physics 103 (11), 2008 | 78 | 2008 |
