Synthesis, Characterization, and Simulation of Four-Armed Megamolecules.
Vinayak P. Dravid , Milan Mrksich , Gregory A. Voth , Valerie L. Grum-Tokars
Biomacromolecules
2021
Structure-Property of Lithium-Sulfur Nanoparticles via Molecular Dynamics Simulation.
Ying Li , Nichols A. Romero , Kah Chun Lau
ACS Applied Materials & Interfaces 10 ( 43) 37575 -37585
15
2018
Size effect on the oxidation of aluminum nanoparticle: Multimillion-atom reactive molecular dynamics simulations
Ying Li , Rajiv K. Kalia , Aiichiro Nakano , Priya Vashishta
Journal of Applied Physics 114 ( 13) 134312
35
2013
Multistage reaction pathways in detonating high explosives
Ying Li , Rajiv K Kalia , Aiichiro Nakano , Ken-ichi Nomura
Applied Physics Letters 105 ( 20) 204103
18
2014
Stabilized Electrode/Electrolyte Interphase by a Saturated Ionic Liquid Electrolyte for High-Voltage NMC532/Si-Graphite Cells
Qian Liu , Wei Jiang , Maria Jose Piernas Munoz , Yuzi Liu
ACS Applied Materials & Interfaces 12 ( 20) 23035 -23045
22
2020
Nanocarbon synthesis by high-temperature oxidation of nanoparticles
Ken-ichi Nomura , Rajiv K. Kalia , Ying Li , Aiichiro Nakano
Scientific Reports 6 ( 1) 24109 -24109
10
2016
Oxidation dynamics of aluminum nanorods
Ying Li , Rajiv K. Kalia , Aiichiro Nakano , Priya Vashishta
Applied Physics Letters 106 ( 8) 083101
2
2015
Anisotropic mechanoresponse of energetic crystallites: a quantum molecular dynamics study of nano-collision
Ying Li , Rajiv K. Kalia , Masaaki Misawa , Aiichiro Nakano
Nanoscale 8 ( 18) 9714 -9720
1
2016
Energetic Performance of Optically Activated Aluminum/Graphene Oxide Composites
Yue Jiang , Sili Deng , Sungwook Hong , Jiheng Zhao
ACS Nano 12 ( 11) 11366 -11375
77
2018
Machine Learning Force Field Parameters from Ab Initio Data
Ying Li , Hui Li , Frank C. Pickard , Badri Narayanan
Journal of Chemical Theory and Computation 13 ( 9) 4492 -4503
118
2017
A crossover in anisotropic nanomechanochemistry of van der Waals crystals
Kohei Shimamura , Masaaki Misawa , Ying Li , Rajiv K. Kalia
Applied Physics Letters 107 ( 23) 231903
7
2015
Engineering dirhodium artificial metalloenzymes for diazo coupling cascade reactions
David M Upp , Rui Huang , Ying Li , Max J Bultman
Angewandte Chemie International Edition 60 ( 44) 23672 -23677
9
2021
Metal-responsive regulation of enzyme catalysis using genetically encoded chemical switches
Yasmine S Zubi , Kosuke Seki , Ying Li , Andrew C Hunt
Nature communications 13 ( 1) 1864 -1864
19
2022
Scalable reactive molecular dynamics simulations for computational synthesis
Ying Li , Ken-Ichi Nomura , Joseph A Insley , Vitali Morozov
Computing in Science & Engineering 21 ( 5) 64 -75
8
2018
Multistage reaction pathways in detonating RDX
Ying Li , Rajiv K Kalia , Aiichiro Nakano , Priya Vashishta
AIP Conference Proceedings 1793 ( 1)
10
2017
Priya Vashishta Aiichiro Nakano Ken-ichi Nomura Benoit Roux Fatih G. Sen Frank C Pickard IV Subramanian KRS Sankaranarayanan Badri Narayanan Maria K Y Chan Bernard R. Brooks Xiaolin Zheng Sili Deng Jennifer Gottfried Sungwook Hong Subodh Tiwari Chi-Chin Wu Nichols A. Romero Masaaki Misawa Zhengcheng Zhang Kah Chun Lau