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
360 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
310 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
261 2013 First-principles determination of static potential energy surfaces for atomic friction in T Liang, WG Sawyer, SS Perry, SB Sinnott, SR Phillpot
Physical Review B—Condensed Matter and Materials Physics 77 (10), 104105, 2008
142 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
130 2012 Development of a ReaxFF Reactive Force Field for NaSiOx 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
97 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
91 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
75 2012 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
70 2015 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
66 2013 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
64 2011 Predicted mechanical properties of a coiled carbon nanotube J Wang, T Kemper, T Liang, SB Sinnott
Carbon 50 (3), 968-976, 2012
55 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
48 2014 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
42 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
41 2017 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
41 2012 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
37 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
36 2016 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 Evaluation and comparison of classical interatomic potentials through a user-friendly interactive web-interface K Choudhary, FYP Congo, T Liang, C Becker, RG Hennig, F Tavazza
Scientific Data 4, 160125, 2017
33 2017 
Susan B. SinnottThe Pennsylvania State University, University ParkE-mailová adresa ověřena na: matse.psu.edu