Charge Optimized Many Body (COMB) potentials for simulation of nuclear fuel and clad SR Phillpot, AC Antony, L Shi, ML Fullarton, T Liang, SB Sinnott, Y Zhang, ... Computational Materials Science 148, 231-241, 2018 | 29 | 2018 |
Applied potentials in variable-charge reactive force fields for electrochemical systems T Liang, AC Antony, SA Akhade, MJ Janik, SB Sinnott The Journal of Physical Chemistry A 122 (2), 631-638, 2018 | 22 | 2018 |
Charge optimized many body (COMB) potentials for Pt and Au AC Antony, SA Akhade, Z Lu, T Liang, MJ Janik, SR Phillpot, SB Sinnott Journal of Physics: Condensed Matter 29 (22), 225901, 2017 | 16 | 2017 |
Effect of surface chemistry on water interaction with Cu (111) AC Antony, T Liang, SA Akhade, MJ Janik, SR Phillpot, SB Sinnott Langmuir 32 (32), 8061-8070, 2016 | 16 | 2016 |
Nanoscale structure and dynamics of water on Pt and Cu surfaces from MD simulations AC Antony, T Liang, SB Sinnott Langmuir 34 (39), 11905-11911, 2018 | 15 | 2018 |
Electronic charge transfer during metal/SiO2 contact: Insight from density functional theory AC Antony, D Thelen, N Zhelev, K Adib, RG Manley Journal of Applied Physics 129 (6), 2021 | 14 | 2021 |
Intrinsic properties of multi-component glass surfaces exposed to aqueous hydrofluoric (HF) and/or hydrochloric (HCl) acid-based treatments G Agnello, C Cushman, AC Antony, N Smith, J Banerjee, H Park, ... Journal of Non-Crystalline Solids 592, 121766, 2022 | 7 | 2022 |
Revealing ‘invisible’subsurface structural change/damage in silicate glass made by ‘nearly-elastic contact’with a spherical smooth surface YT Lin, AL Ogrinc, AN Zoba, J Lee, S Jang, NJ Smith, J Banerjee, ... Acta Materialia 264, 119571, 2024 | 5 | 2024 |
Simulating an applied voltage in molecular dynamics using charge optimized many body (COMB3) potentials AC Antony, SA Akhade, T Liang, MJ Janik, JK Maranas, SB Sinnott ECS Transactions 69 (1), 103, 2015 | 5 | 2015 |
Roles of paper composition and humidity on the adhesion between paper sheet and glass: a molecular dynamics study H Park, SH Lee, EI Morin, AC Antony Cellulose, 1-13, 2021 | 4 | 2021 |
Surface chemistry, water adsorption/desorption, and electrostatic charging behavior of display glass panel: Effect of rinsing solution pH YT Lin, AN Zoba, NJ Smith, J Banerjee, AC Antony, G Agnello, SH Kim Applied Surface Science 651, 159204, 2024 | 3 | 2024 |
Passivation of Mid-Gap Electronic States at Calcium Aluminosilicate Glass Surfaces upon Water Exposure: An Ab Initio Study AC Antony, S Goyal, H Park, J Banerjee, NJ Smith, G Agnello, RG Manley The Journal of Physical Chemistry B 126 (39), 7709-7719, 2022 | 3 | 2022 |
Water Adsorption Isotherm and Surface Conductivity of Boroaluminosilicate Glasses YT Lin, G Agnello, M Link, Y Guo, AN Zoba, A Antony, NJ Smith, ... Langmuir 40 (3), 1658-1665, 2024 | 1 | 2024 |
The Origins of Solid-Solid Contact Electrification J Liu, S Ciampi, A Antony Handbook of Triboelectric Nanogenerators, 2023 | 1 | 2023 |
Prediction of glassy silica etching with hydrogen fluoride gas by kinetic Monte Carlo simulations H Park, AC Antony, J Banerjee, NJ Smith, G Agnello The Journal of Chemical Physics 158 (9), 2023 | 1 | 2023 |
High-sensitivity low-energy ion scattering studies of calcium aluminosilicate glass fracture surfaces R Thorpe, NJ Smith, CV Cushman, GP Agnello, J Banerjee, AC Antony, ... Journal of Non-Crystalline Solids: X 17, 100156, 2023 | 1 | 2023 |
High efficacy cu-based anti-microbial films and substrates and methods of making the same AC Antony, T Chang, SSK Goyal, S Jayaraman, R Qi, V Tjong, S Yuan US Patent App. 18/643,241, 2024 | | 2024 |
High efficacy Cu-based anti-microbial films and substrates and methods of making the same AC Antony, T Chang, SSK Goyal, S Jayaraman, R Qi, V Tjong, S Yuan US Patent 11,993,692, 2024 | | 2024 |
Development of a First-Principles Hydrogen Vibrational Spectrum in Liquid H2O A Antony, AI Hawari American Nuclear Society, 2018 | | 2018 |
Multiscale Modeling of the Electrode/Electrolyte Interface Using Charge Optimized Many Body (ECOMB3) Potentials SA Akhade, A Antony, T Liang, MJ Janik, JK Maranas, SB Sinnott Electrochemical Society Meeting Abstracts 227, 1763-1763, 2015 | | 2015 |