| The Nosé–Poincaré method for constant temperature molecular dynamics SD Bond, BJ Leimkuhler, BB Laird Journal of Computational Physics 151 (1), 114-134, 1999 | 545 | 1999 |
| A combined experimental− computational investigation of carbon dioxide capture in a series of isoreticular zeolitic imidazolate frameworks W Morris, B Leung, H Furukawa, OK Yaghi, N He, H Hayashi, ... Journal of the American Chemical Society 132 (32), 11006-11008, 2010 | 409 | 2010 |
| Direct calculation of the hard-sphere crystal/melt interfacial free energy RL Davidchack, BB Laird Physical review letters 85 (22), 4751, 2000 | 345 | 2000 |
| Localized low-frequency vibrational modes in a simple model glass BB Laird, HR Schober Physical review letters 66 (5), 636, 1991 | 326 | 1991 |
| Chemical applications of density-functional theory BB Laird, RB Ross, T Ziegler American Chemical Society, 1996 | 297 | 1996 |
| Simulation of the hard-sphere crystal–melt interface RL Davidchack, BB Laird The Journal of chemical physics 108 (22), 9452-9462, 1998 | 286 | 1998 |
| Evaluation of the constant potential method in simulating electric double-layer capacitors Z Wang, Y Yang, DL Olmsted, M Asta, BB Laird The Journal of chemical physics 141 (18), 2014 | 280 | 2014 |
| Direct calculation of the crystal–melt interfacial free energies for continuous potentials: Application to the Lennard-Jones system RL Davidchack, BB Laird The Journal of chemical physics 118 (16), 7651-7657, 2003 | 255 | 2003 |
| Localized low-frequency vibrational modes in glasses HR Schober, BB Laird Physical Review B 44 (13), 6746, 1991 | 254 | 1991 |
| Microscopic theory of reversible pressure broadening in hole‐burning spectra of impurities in glasses BB Laird, JL Skinner The Journal of Chemical Physics 90 (6), 3274-3281, 1989 | 203 | 1989 |
| Quantum‐mechanical derivation of the Bloch equations: Beyond the weak‐coupling limit BB Laird, J Budimir, JL Skinner The Journal of chemical physics 94 (6), 4391-4404, 1991 | 191 | 1991 |
| Symplectic algorithm for constant-pressure molecular dynamics using a Nosé–Poincaré thermostat JB Sturgeon, BB Laird The Journal of Chemical Physics 112 (8), 3474-3482, 2000 | 188 | 2000 |
| A combined experimental-computational study on the effect of topology on carbon dioxide adsorption in zeolitic imidazolate frameworks W Morris, N He, KG Ray, P Klonowski, H Furukawa, IN Daniels, ... The Journal of Physical Chemistry C 116 (45), 24084-24090, 2012 | 185 | 2012 |
| Instantaneous normal modes and the glass transition SD Bembenek, BB Laird Physical review letters 74 (6), 936, 1995 | 162 | 1995 |
| The anisotropic hard-sphere crystal-melt interfacial free energy from fluctuations RL Davidchack, JR Morris, BB Laird The Journal of chemical physics 125 (9), 2006 | 161 | 2006 |
| Atomistic simulations of nonequilibrium crystal-growth kinetics from alloy melts Y Yang, H Humadi, D Buta, BB Laird, D Sun, JJ Hoyt, M Asta Physical review letters 107 (2), 025505, 2011 | 151 | 2011 |
| Crystal structure and interaction dependence of the crystal-melt interfacial free energy RL Davidchack, BB Laird Physical review letters 94 (8), 086102, 2005 | 143 | 2005 |
| Low-frequency vibrations and relaxations in glasses HR Schober, C Oligschleger, BB Laird Journal of non-crystalline solids 156, 965-968, 1993 | 137 | 1993 |
| Crystal–melt interfaces and solidification morphologies in metals and alloys JJ Hoyt, M Asta, T Haxhimali, A Karma, RE Napolitano, R Trivedi, ... MRS bulletin 29 (12), 935-939, 2004 | 131 | 2004 |
| Adjusting the melting point of a model system via Gibbs-Duhem integration: Application to a model of aluminum JB Sturgeon, BB Laird Physical Review B 62 (22), 14720, 2000 | 131 | 2000 |
