Year |
Citation |
Score |
2018 |
Antony AC, Liang T, Sinnott SB. Nanoscale Structure and Dynamics of Water on Pt and Cu Surfaces from MD Simulations. Langmuir : the Acs Journal of Surfaces and Colloids. PMID 30169963 DOI: 10.1021/Acs.Langmuir.8B02315 |
0.314 |
|
2018 |
Fonseca AF, Liang T, Zhang D, Choudhary K, Phillpot SR, Sinnott SB. Titanium-Carbide Formation at Defective Curved Graphene-Titanium Interfaces Mrs Advances. 3: 457-462. DOI: 10.1557/Adv.2018.115 |
0.32 |
|
2018 |
Hahn SH, Rimsza J, Criscenti L, Sun W, Deng L, Du J, Liang T, Sinnott SB, van Duin ACT. Development of a ReaxFF Reactive Force Field for NaSiOx/Water Systems and Its Application to Sodium and Proton Self-Diffusion The Journal of Physical Chemistry C. 122: 19613-19624. DOI: 10.1021/Acs.Jpcc.8B05852 |
0.308 |
|
2018 |
Phillpot SR, Antony AC, Shi L, Fullarton ML, Liang T, Sinnott SB, Zhang Y, Biner SB. Charge Optimized Many Body (COMB) potentials for simulation of nuclear fuel and clad Computational Materials Science. 148: 231-241. DOI: 10.1016/J.Commatsci.2018.02.041 |
0.352 |
|
2017 |
Liang T, Antony AC, Akhade SA, Janik MJ, Sinnott SB. Applied Potentials in Variable Charge Reactive Force Fields for Electrochemical Systems. The Journal of Physical Chemistry. A. PMID 29257690 DOI: 10.1021/Acs.Jpca.7B06064 |
0.323 |
|
2017 |
Antony AC, Akhade SA, Lu Z, Liang T, Janik MJ, Phillpot SR, Sinnott SB. Charge optimized many body (COMB) potentials for Pt and Au. Journal of Physics. Condensed Matter : An Institute of Physics Journal. 29: 225901. PMID 28452343 DOI: 10.1088/1361-648X/Aa6D43 |
0.332 |
|
2017 |
Choudhary K, Congo FY, Liang T, Becker C, Hennig RG, Tavazza F. Evaluation and comparison of classical interatomic potentials through a user-friendly interactive web-interface. Scientific Data. 4: 160125. PMID 28140407 DOI: 10.1038/Sdata.2016.125 |
0.311 |
|
2017 |
Martinez J, Liang T, Sinnott SB, Phillpot SR. A third-generation charge optimized many body (COMB3) potential for nitrogen-containing organic molecules Computational Materials Science. 139: 153-161. DOI: 10.1016/J.Commatsci.2017.07.019 |
0.319 |
|
2016 |
Antony AC, Liang T, Akhade SA, Janik MJ, Phillpot SR, Sinnott SB. Effect of surface chemistry on water interaction with Cu(111). Langmuir : the Acs Journal of Surfaces and Colloids. PMID 27442055 DOI: 10.1021/Acs.Langmuir.6B01974 |
0.318 |
|
2016 |
Liang T, Ashton M, Choudhary K, Zhang D, Fonseca AF, Revard BC, Hennig RG, Phillpot SR, Sinnott SB. Properties of Ti/TiC Interfaces from Molecular Dynamics Simulations Journal of Physical Chemistry C. 120: 12530-12538. DOI: 10.1021/Acs.Jpcc.6B02763 |
0.393 |
|
2016 |
Fonseca AF, Liang T, Zhang D, Choudhary K, Sinnott SB. Probing the accuracy of reactive and non-reactive force fields to describe physical and chemical properties of graphene-oxide Computational Materials Science. 114: 236-243. DOI: 10.1016/J.Commatsci.2015.12.030 |
0.337 |
|
2016 |
Choudhary K, Liang T, Mathew K, Revard B, Chernatynskiy A, Phillpot SR, Hennig RG, Sinnott SB. Dynamical properties of AlN nanostructures and heterogeneous interfaces predicted using COMB potentials Computational Materials Science. 113: 80-87. DOI: 10.1016/J.Commatsci.2015.11.025 |
0.389 |
|
2015 |
Kumar A, Chernatynskiy A, Liang T, Choudhary K, Noordhoek MJ, Cheng YT, Phillpot SR, Sinnott SB. Charge optimized many-body (COMB) potential for dynamical simulation of Ni-Al phases. Journal of Physics. Condensed Matter : An Institute of Physics Journal. 27: 336302. PMID 26234209 DOI: 10.1088/0953-8984/27/33/336302 |
0.36 |
|
2015 |
Choudhary K, Liang T, Chernatynskiy A, Phillpot SR, Sinnott SB. Charge optimized many-body (COMB) potential for Al2O3 materials, interfaces, and nanostructures. Journal of Physics. Condensed Matter : An Institute of Physics Journal. 27: 305004. PMID 26151746 DOI: 10.1088/0953-8984/27/30/305004 |
0.379 |
|
2015 |
Choudhary K, Liang T, Chernatynskiy A, Lu Z, Goyal A, Phillpot SR, Sinnott SB. Charge optimized many-body potential for aluminum. Journal of Physics. Condensed Matter : An Institute of Physics Journal. 27: 015003. PMID 25407244 DOI: 10.1088/0953-8984/27/1/015003 |
0.337 |
|
2015 |
Kumar A, Chernatynskiy A, Liang T, Choudhary K, Noordhoek MJ, Cheng Y, Phillpot SR, Sinnott SB. Corrigendum: Charge optimized many-body (COMB) potential for dynamical simulation of Ni–Al phases (2015 J. Phys: Condens. Matter 27 336302) Journal of Physics: Condensed Matter. 27: 479501. DOI: 10.1088/0953-8984/27/47/479501 |
0.307 |
|
2014 |
Cheng YT, Shan TR, Liang T, Behera RK, Phillpot SR, Sinnott SB. A charge optimized many-body (COMB) potential for titanium and titania. Journal of Physics. Condensed Matter : An Institute of Physics Journal. 26: 315007. PMID 24943265 DOI: 10.1088/0953-8984/26/31/315007 |
0.355 |
|
2014 |
Cheng YT, Liang T, Martinez JA, Phillpot SR, Sinnott SB. A charge optimized many-body potential for titanium nitride (TiN). Journal of Physics. Condensed Matter : An Institute of Physics Journal. 26: 265004. PMID 24903100 DOI: 10.1088/0953-8984/26/26/265004 |
0.404 |
|
2014 |
Noordhoek MJ, Liang T, Chiang TW, Sinnott SB, Phillpot SR. Mechanisms of Zr surface corrosion determined via molecular dynamics simulations with charge-optimized many-body (COMB) potentials Journal of Nuclear Materials. 452: 285-295. DOI: 10.1016/J.Jnucmat.2014.05.023 |
0.331 |
|
2014 |
Liang T, Cheng YT, Nie X, Luo W, Asthagiri A, Janik MJ, Andrews E, Flake J, Sinnott SB. Molecular dynamics simulations of CO2 reduction on Cu(111) and Cu/ZnO(101̄0) using charge optimized many body potentials Catalysis Communications. 52: 84-87. DOI: 10.1016/J.Catcom.2013.11.033 |
0.343 |
|
2013 |
Li Y, Liang T, Sinnott SB, Phillpot SR. A charge-optimized many-body potential for the U-UO2-O 2 system Journal of Physics Condensed Matter. 25. PMID 24275484 DOI: 10.1088/0953-8984/25/50/505401 |
0.328 |
|
2013 |
Liang T, Shin YK, Cheng YT, Yilmaz DE, Vishnu KG, Verners O, Zou C, Phillpot SR, Sinnott SB, Van Duin ACT. Reactive potentials for advanced atomistic simulations Annual Review of Materials Research. 43: 109-129. DOI: 10.1146/Annurev-Matsci-071312-121610 |
0.329 |
|
2013 |
Liang T, Shan TR, Cheng YT, Devine BD, Noordhoek M, Li Y, Lu Z, Phillpot SR, Sinnott SB. Classical atomistic simulations of surfaces and heterogeneous interfaces with the charge-optimized many body (COMB) potentials Materials Science and Engineering R: Reports. 74: 255-279. DOI: 10.1016/J.Mser.2013.07.001 |
0.397 |
|
2013 |
Noordhoek MJ, Liang T, Lu Z, Shan TR, Sinnott SB, Phillpot SR. Charge-optimized many-body (COMB) potential for zirconium Journal of Nuclear Materials. 441: 274-279. DOI: 10.1016/J.Jnucmat.2013.06.004 |
0.339 |
|
2012 |
Liang T, Devine B, Phillpot SR, Sinnott SB. Variable charge reactive potential for hydrocarbons to simulate organic-copper interactions. The Journal of Physical Chemistry. A. 116: 7976-91. PMID 22738218 DOI: 10.1021/Jp212083T |
0.377 |
|
2012 |
Li Y, Shan TR, Liang T, Sinnott SB, Phillpot SR. Classical interatomic potential for orthorhombic uranium. Journal of Physics. Condensed Matter : An Institute of Physics Journal. 24: 235403. PMID 22576045 DOI: 10.1088/0953-8984/24/23/235403 |
0.335 |
|
2012 |
Cheng YT, Shan TR, Devine B, Lee D, Liang T, Hinojosa BB, Phillpot SR, Asthagiri A, Sinnott SB. Atomistic simulations of the adsorption and migration barriers of Cu adatoms on ZnO surfaces using COMB potentials Surface Science. 606: 1280-1288. DOI: 10.1016/J.Susc.2012.04.007 |
0.313 |
|
2008 |
Liang T, Sawyer WG, Perry SS, Sinnott SB, Phillpot SR. First-principles determination of static potential energy surfaces for atomic friction in Mo S2 and Mo O3 Physical Review B - Condensed Matter and Materials Physics. 77. DOI: 10.1103/Physrevb.77.104105 |
0.333 |
|
2004 |
Windl W, Liang T, Lopatin S, Duscher G. Investigation of Nanostructured Germanium/Silicon Dioxide Interfaces Journal of Computational and Theoretical Nanoscience. 1: 286-295. DOI: 10.1166/Jctn.2004.030 |
0.579 |
|
2004 |
Windl W, Liang T, Lopatin S, Duscher G. Modeling and characterization of atomically sharp “perfect” Ge/SiO2 interfaces Materials Science and Engineering B-Advanced Functional Solid-State Materials. 114: 156-161. DOI: 10.1016/J.Mseb.2004.07.041 |
0.579 |
|
2003 |
Windl W, Liang T, Lopatin S, Duscher G. Atomistic Modeling of the Detailed Structure of Si/SiO2 Interfaces Using AIDATEM (Ab-initio Interface Defect detection by Analytic Transmission Electron Microscopy) Microscopy and Microanalysis. 9: 826-827. DOI: 10.1017/S1431927603444139 |
0.543 |
|
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