Chemical Vapor Deposition Synthesis of MoS2 Layers from the Direct Sulfidation of MoO3 Surfaces Using Reactive Molecular Dynamics Simulations S Hong, C Sheng, A Krishnamoorthy, P Rajak, S Tiwari, K Nomura, ...
The Journal of Physical Chemistry C 122 (13), 7494-7503, 2018
56 2018 Multiobjective genetic training and uncertainty quantification of reactive force fields A Mishra, S Hong, P Rajak, C Sheng, K Nomura, RK Kalia, A Nakano, ...
npj Computational Materials 4 (1), 42, 2018
27 2018 Defect Healing in Layered Materials: A Machine Learning-Assisted Characterization of MoS2 Crystal Phases S Hong, K Nomura, A Krishnamoorthy, P Rajak, C Sheng, RK Kalia, ...
The Journal of Physical Chemistry Letters 10 (11), 2739-2744, 2019
25 2019 Facile five-step heteroepitaxial growth of GaAs nanowires on silicon substrates and the twin formation mechanism M Yao, C Sheng, M Ge, CY Chi, S Cong, A Nakano, PD Dapkus, C Zhou
ACS nano 10 (2), 2424-2435, 2016
23 2016 Enhanced charge recombination due to surfaces and twin defects in GaAs nanostructures E Brown, C Sheng, K Shimamura, F Shimojo, A Nakano
Journal of Applied Physics 117 (5), 2015
19 2015 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 (1), 24109, 2016
17 2016 Sulfurization of MoO3 in the Chemical Vapor Deposition Synthesis of MoS2 Enhanced by an H2 S/H2 Mixture S Hong, S Tiwari, A Krishnamoorthy, K Nomura, C Sheng, RK Kalia, ...
The Journal of Physical Chemistry Letters 12 (7), 1997-2003, 2021
15 2021 Anisotropic frictional heating and defect generation in cyclotrimethylene-trinitramine molecular crystals P Rajak, A Mishra, C Sheng, S Tiwari, RK Kalia, A Nakano, P Vashishta
Applied Physics Letters 112 (21), 2018
11 2018 Role of H Transfer in the Gas-Phase Sulfidation Process of MoO3 : A Quantum Molecular Dynamics Study C Sheng, S Hong, A Krishnamoorthy, RK Kalia, A Nakano, F Shimojo, ...
The journal of physical chemistry letters 9 (22), 6517-6523, 2018
10 2018 Shift-collapse acceleration of generalized polarizable reactive molecular dynamics for machine learning-assisted computational synthesis of layered materials K Liu, S Tiwari, C Sheng, A Krishnamoorthy, S Hong, P Rajak, RK Kalia, ...
2018 IEEE/ACM 9th Workshop on Latest Advances in Scalable Algorithms for …, 2018
8 2018 A reactive molecular dynamics study of atomistic mechanisms during synthesis of MoS2 layers by chemical vapor deposition S Hong, A Krishnamoorthy, C Sheng, RK Kalia, A Nakano, P Vashishta
Mrs Advances 3 (6-7), 307-311, 2018
6 2018 Gel phase in hydrated calcium dipicolinate P Rajak, A Mishra, C Sheng, S Tiwari, A Krishnamoorthy, RK Kalia, ...
Applied Physics Letters 111 (21), 2017
4 2017 A high-throughput multiobjective genetic-algorithm workflow for in situ training of reactive molecular-dynamics force fields HC Cheng, P Rajak, C Sheng, RK Kalia, A Nakano, P Vashishta
Proceedings of the 24th High Performance Computing Symposium, 1-6, 2016
4 2016 Free energy of hydration and heat capacity of calcium dipicolinate in Bacillus spore cores A Mishra, A Krishnamoorthy, P Rajak, S Tiwari, C Sheng, RK Kalia, ...
Applied Physics Letters 113 (11), 2018
3 2018 Twin superlattice-induced large surface recombination velocity in GaAs nanostructures C Sheng, E Brown, F Shimojo, A Nakano
Applied Physics Letters 105 (23), 2014
1 2014 Atomistic Study of Wet-heat Resistance of Calcium Dipicolinate in the Core of Spores A Mishra, P Rajak, S Tiwari, C Sheng, A Krishnamoorthy, A Nakano, ...
MRS Advances 3 (26), 1457-1462, 2018
2018 Computational Synthesis of MoS2 Layer by the Direct Sulfidation of MoO3 Surfaces: A Reactive Molecular Dynamics Study S Hong, C Sheng, R Kalia, A Nakano, P Vashishta
APS March Meeting Abstracts 2018, R36. 012, 2018
2018 Roles of Hydrogen Partial Pressure in Controlled Sulfidation and Nucleation Process of Molybdenum Oxide C Sheng, S Hong, A Nakano, R Kalia, P Vashishta
APS March Meeting Abstracts 2018, L18. 015, 2018
2018 In Situ Multiobjective Genetic-Algorithm Workflow for Training and Uncertainty Quantification of Reactive Molecular-Dynamics Force Fields A Mishra, S Hong, P Rajak, C Sheng, K Nomura, R Kalia, A Nakano, ...
APS March Meeting Abstracts 2018, R12. 007, 2018
2018 Understanding chemical vapor deposition (CVD) growth of MoS layers by ReaxFF-molecular dynamics simulations S Hong, A Krishnamoorthy, C Sheng, P Rajak, S Tiwari, A Mishra, ...
Bulletin of the American Physical Society 62, 2017
2017