Machine Learning Force Field Parameters from Ab Initio Data Y Li, H Li, FC Pickard, B Narayanan, F Sen, MKY Chan, ... Journal of Chemical Theory and Computation, 2017 | 143 | 2017 |
Energetic Performance of Optically Activated Aluminum/Graphene Oxide Composites Y Jiang, S Deng, S Hong, J Zhao, S Huang, CC Wu, JL Gottfried, ... ACS Nano, 2018 | 113 | 2018 |
Size effect on the oxidation of aluminum nanoparticle: Multimillion-atom reactive molecular dynamics simulations Y Li, RK Kalia, A Nakano, P Vashishta Journal of Applied Physics 114 (134312), 2013 | 74 | 2013 |
Stabilized electrode/electrolyte interphase by a saturated ionic liquid electrolyte for high-voltage NMC532/Si-graphite cells Q Liu, W Jiang, MJP Munoz, Y Liu, Z Yang, I Bloom, TL Dzwiniel, Y Li, ... ACS applied materials & interfaces 12 (20), 23035-23045, 2020 | 27 | 2020 |
Multistage reaction pathways in detonating high explosives Y Li, RK Kalia, A Nakano, K Nomura, P Vashishta Applied Physics Letters 105 (204103), 2014 | 26 | 2014 |
Metal-responsive regulation of enzyme catalysis using genetically encoded chemical switches JCL Yasmine S Zubi, Kosuke Seki, Ying Li, Andrew C Hunt, Bingqing Liu ... Nature Communication 13 (1), 1864, 2022 | 20 | 2022 |
Engineering Dirhodium Artificial Metalloenzymes for Diazo Coupling Cascade Reactions JCL David M Upp, Rui Huang, Ying Li, Max J Bultman, Benoit Roux Angewandte Chemie International Edition 60 (44), 23672-23677, 2021 | 19 | 2021 |
Structure–Property of Lithium–Sulfur Nanoparticles via Molecular Dynamics Simulation Y Li, NA Romero, KC Lau ACS Applied Materials & Interfaces 10 (43), 37575–37585, 2018 | 19 | 2018 |
Nanocarbon synthesis by high-temperature oxidation of nanoparticles K Nomura, RK Kalia, Y Li, A Nakano, P Rajak, C Sheng, K Shimamura, ... Scientific Reports 6 (24109), 2016 | 17 | 2016 |
A crossover in anisotropic nanomechanochemistry of van der Waals crystals K Shimamura, M Misawa, Y Li, RK Kalia, A Nakano, F Shimojo, ... Applied Physics Letters 107 (231903), 2015 | 12 | 2015 |
Scalable reactive molecular dynamics simulations for computational synthesis Y Li, KI Nomura, JA Insley, V Morozov, K Kumaran, NA Romero, ... Computing in Science & Engineering 21 (5), 64-75, 2018 | 8 | 2018 |
Multistage reaction pathways in detonating RDX Y Li, R Kalia. K, A Nakano, P Vashishta American Institute of Physics Conference Proceeding 1793 (030007), 2017 | 8 | 2017 |
Synthesis, Characterization, and Simulation of Four-Armed Megamolecules MM Shengwang Zhou, Peng He, Sonali Dhindwal, Valerie L Grum-Tokars, Ying Li ... Biomacromolecules 22 (6), 2363–2372, 2021 | 6 | 2021 |
Oxidation dynamics of aluminum nanorods Y Li, RK Kalia, A Nakano, P Vashishta Applied Physics Letters 106 (083101), 2015 | 5 | 2015 |
Anisotropic mechanoresponse of energetic crystallites: a quantum molecular dynamics study of nano-collision Y Li, RK Kalia, M Misawa, A Nakano, K Nomura, K Shimamura, F Shimojo, ... Nanoscale 8, 9714-9720, 2016 | 2 | 2016 |