| A new transferable interatomic potential for molecular dynamics simulations of borosilicate glasses M Wang, NMA Krishnan, B Wang, MM Smedskjaer, JC Mauro, M Bauchy Journal of Non-Crystalline Solids 498, 294-304, 2018 | 145 | 2018 |
| Revisiting silica with ReaxFF: Towards improved predictions of glass structure and properties via reactive molecular dynamics Y Yu, B Wang, M Wang, G Sant, M Bauchy Journal of Non-Crystalline Solids 443, 148-154, 2016 | 119 | 2016 |
| Ionization behavior of nanoporous polyamide membranes CL Ritt, JR Werber, M Wang, Z Yang, Y Zhao, HJ Kulik, M Elimelech Proceedings of the National Academy of Sciences 117 (48), 30191-30200, 2020 | 110 | 2020 |
| Fracture toughness anomalies: Viewpoint of topological constraint theory M Bauchy, B Wang, M Wang, Y Yu, MJA Qomi, MM Smedskjaer, ... Acta Materialia 121, 234-239, 2016 | 102 | 2016 |
| Nanoductility in silicate glasses is driven by topological heterogeneity B Wang, Y Yu, M Wang, JC Mauro, M Bauchy Physical Review B 93 (6), 064202, 2016 | 97 | 2016 |
| Stretched Exponential Relaxation of Glasses at Low Temperature Y Yu, M Wang, D Zhang, B Wang, G Sant, M Bauchy Physical review letters 115 (16), 165901, 2015 | 84 | 2015 |
| Reactive Molecular Dynamics Simulations of Sodium Silicate Glasses—Toward an Improved Understanding of the Structure Y Yu, B Wang, M Wang, G Sant, M Bauchy International Journal of Applied Glass Science 8 (3), 276-284, 2017 | 64 | 2017 |
| Topological Control on the Structural Relaxation of Atomic Networks under Stress M Bauchy, M Wang, Y Yu, B Wang, NMA Krishnan, E Masoero, FJ Ulm, ... Physical Review Letters 119 (3), 035502, 2017 | 63 | 2017 |
| Thermometer Effect: Origin of the Mixed Alkali Effect in Glass Relaxation Y Yu, M Wang, MM Smedskjaer, JC Mauro, G Sant, M Bauchy Physical Review Letters 119 (9), 095501, 2017 | 61 | 2017 |
| Irradiation-induced topological transition in SiO2: Structural signature of networks' rigidity B Wang, NMA Krishnan, Y Yu, M Wang, Y Le Pape, G Sant, M Bauchy Journal of Non-Crystalline Solids 463, 25-30, 2017 | 55 | 2017 |
| Hardness of silicate glasses: Atomic-scale origin of the mixed modifier effect Y Yu, M Wang, NMA Krishnan, MM Smedskjaer, KD Vargheese, ... Journal of Non-Crystalline Solids 489, 16-21, 2018 | 47 | 2018 |
| Revealing quantum mechanical effects in enzyme catalysis with large-scale electronic structure simulation Z Yang, R Mehmood, M Wang, HW Qi, AH Steeves, HJ Kulik Reaction Chemistry & Engineering 4 (2), 298-315, 2019 | 45 | 2019 |
| Ion exchange strengthening and thermal expansion of glasses: Common origin and critical role of network connectivity M Wang, B Wang, NMA Krishnan, Y Yu, MM Smedskjaer, JC Mauro, ... Journal of Non-Crystalline Solids 455, 70-74, 2017 | 41 | 2017 |
| Can a simple topological-constraints-based model predict the initial dissolution rate of borosilicate and aluminosilicate glasses? S Gin, M Wang, N Bisbrouck, M Taron, X Lu, L Deng, F Angeli, ... npj Materials Degradation 4 (1), 6, 2020 | 32 | 2020 |
| Crucial effect of angular flexibility on the fracture toughness and nano-ductility of aluminosilicate glasses M Wang, B Wang, TK Bechgaard, JC Mauro, SJ Rzoska, M Bockowski, ... Journal of Non-Crystalline Solids 454, 46-51, 2016 | 31 | 2016 |
| Topological Origin of the Network Dilation Anomaly in Ion-Exchanged Glasses M Wang, MM Smedskjaer, JC Mauro, G Sant, M Bauchy Physical Review Applied 8 (5), 054040, 2017 | 22 | 2017 |
| Modifier clustering and avoidance principle in borosilicate glasses: A molecular dynamics study M Wang, MM Smedskjaer, JC Mauro, M Bauchy The Journal of Chemical Physics 150 (4), 2019 | 19 | 2019 |
| Intermediate Phase in Calcium–Silicate–Hydrates: Mechanical, Structural, Rigidity, and Stress Signatures Q Zhou, M Wang, L Guo, P Boolchand, M Bauchy Frontiers in Materials 6, 157, 2019 | 12 | 2019 |
| Modeling and simulations for 2D materials: a ReaxFF perspective N Nayir, Q Mao, T Wang, M Kowalik, Y Zhang, M Wang, S Dwivedi, ... 2D Materials 10 (3), 032002, 2023 | 9 | 2023 |
| Self-limiting stoichiometry in SnSe thin films JR Chin, MB Frye, DSH Liu, M Hilse, IC Graham, J Shallenberger, ... Nanoscale 15 (23), 9973-9984, 2023 | 8 | 2023 |
