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 | 63 | 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 | 40 | 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 | 27 | 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 | 26 | 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 | 18 | 2016 |
Sulfurization of MoO3 in the Chemical Vapor Deposition Synthesis of MoS2 Enhanced by an H2S/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 | 17 | 2021 |
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 | 12 | 2018 |
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 | 10 | 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 | 9 | 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 |
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 | 4 | 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 |
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 | 1 | 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 |
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 |