| Parametrization of a reactive many-body potential for Mo–S systems T Liang, SR Phillpot, SB Sinnott Physical Review B—Condensed Matter and Materials Physics 79 (24), 245110, 2009 | 350 | 2009 |
| Classical atomistic simulations of surfaces and heterogeneous interfaces with the charge-optimized many body (COMB) potentials T Liang, TR Shan, YT Cheng, BD Devine, M Noordhoek, Y Li, Z Lu, ... Materials Science and Engineering: R: Reports 74 (9), 255-279, 2013 | 295 | 2013 |
| Reactive potentials for advanced atomistic simulations T Liang, YK Shin, YT Cheng, DE Yilmaz, KG Vishnu, O Verners, C Zou, ... Annual review of materials research 43 (1), 109-129, 2013 | 245 | 2013 |
| First-principles determination of static potential energy surfaces for atomic friction in and T Liang, WG Sawyer, SS Perry, SB Sinnott, SR Phillpot Physical Review B—Condensed Matter and Materials Physics 77 (10), 104105, 2008 | 139 | 2008 |
| Variable charge reactive potential for hydrocarbons to simulate organic-copper interactions T Liang, B Devine, SR Phillpot, SB Sinnott The Journal of Physical Chemistry A 116 (30), 7976-7991, 2012 | 126 | 2012 |
| Development of a ReaxFF Reactive Force Field for NaSiOx/Water Systems and Its Application to Sodium and Proton Self-Diffusion SH Hahn, J Rimsza, L Criscenti, W Sun, L Deng, J Du, T Liang, SB Sinnott, ... The Journal of Physical Chemistry C 122 (34), 19613-19624, 2018 | 88 | 2018 |
| Erratum: Parametrization of a reactive many-body potential for Mo--S systems [Phys. Rev. B 79, 245110 (2009)] T Liang, SR Phillpot, SB Sinnott Physical Review B—Condensed Matter and Materials Physics 85 (19), 199903, 2012 | 87 | 2012 |
| Variable charge many-body interatomic potentials YK Shin, TR Shan, T Liang, MJ Noordhoek, SB Sinnott, ACT Van Duin, ... MRS bulletin 37 (5), 504-512, 2012 | 70 | 2012 |
| Fitting empirical potentials: Challenges and methodologies JA Martinez, DE Yilmaz, T Liang, SB Sinnott, SR Phillpot Current Opinion in Solid State and Materials Science 17 (6), 263-270, 2013 | 65 | 2013 |
| Charge optimized many-body (COMB) potential for Al2O3 materials, interfaces, and nanostructures K Choudhary, T Liang, A Chernatynskiy, SR Phillpot, SB Sinnott Journal of Physics: Condensed Matter 27 (30), 305004, 2015 | 63 | 2015 |
| Energetics of Oxidation in MoS2 Nanoparticles by Density Functional Theory T Liang, WG Sawyer, SS Perry, SB Sinnott, SR Phillpot The Journal of Physical Chemistry C 115 (21), 10606-10616, 2011 | 62 | 2011 |
| Predicted mechanical properties of a coiled carbon nanotube J Wang, T Kemper, T Liang, SB Sinnott Carbon 50 (3), 968-976, 2012 | 50 | 2012 |
| A charge optimized many-body (comb) potential for titanium and titania YT Cheng, TR Shan, T Liang, RK Behera, SR Phillpot, SB Sinnott Journal of Physics: Condensed Matter 26 (31), 315007, 2014 | 47 | 2014 |
| Classical interatomic potential for orthorhombic uranium Y Li, TR Shan, T Liang, SB Sinnott, SR Phillpot Journal of Physics: Condensed Matter 24 (23), 235403, 2012 | 40 | 2012 |
| Mechanisms of Zr surface corrosion determined via molecular dynamics simulations with charge-optimized many-body (COMB) potentials MJ Noordhoek, T Liang, TW Chiang, SB Sinnott, SR Phillpot Journal of Nuclear Materials 452 (1-3), 285-295, 2014 | 39 | 2014 |
| Graphene–titanium interfaces from molecular dynamics simulations AF Fonseca, T Liang, D Zhang, K Choudhary, SR Phillpot, SB Sinnott ACS applied materials & interfaces 9 (38), 33288-33297, 2017 | 38 | 2017 |
| A charge-optimized many-body potential for the U–UO2–O2 system Y Li, T Liang, SB Sinnott, SR Phillpot Journal of Physics: Condensed Matter 25 (50), 505401, 2013 | 36 | 2013 |
| Atomistic simulations of the adsorption and migration barriers of Cu adatoms on ZnO surfaces using COMB potentials YT Cheng, TR Shan, B Devine, D Lee, T Liang, BB Hinojosa, SR Phillpot, ... Surface science 606 (15-16), 1280-1288, 2012 | 35 | 2012 |
| Properties of Ti/TiC interfaces from molecular dynamics simulations T Liang, M Ashton, K Choudhary, D Zhang, AF Fonseca, BC Revard, ... The Journal of Physical Chemistry C 120 (23), 12530-12538, 2016 | 32 | 2016 |
| Probing the accuracy of reactive and non-reactive force fields to describe physical and chemical properties of graphene-oxide AF Fonseca, T Liang, D Zhang, K Choudhary, SB Sinnott Computational Materials Science 114, 236-243, 2016 | 32 | 2016 |
Susan B. SinnottThe Pennsylvania State University, University Park在 matse.psu.edu 的电子邮件经过验证
