| Using metadynamics to build neural network potentials for reactive events: the case of urea decomposition in water M Yang, L Bonati, D Polino, M Parrinello Catalysis Today 387, 143-149, 2022 | 87 | 2022 |
| Automatic reaction pathway search via combined molecular dynamics and coordinate driving method M Yang, J Zou, G Wang, S Li The Journal of Physical Chemistry A 121 (6), 1351-1361, 2017 | 72 | 2017 |
| Curcumin is a biologically active copper chelator with antitumor activity W Zhang, C Chen, H Shi, M Yang, Y Liu, P Ji, H Chen, RX Tan, E Li Phytomedicine 23 (1), 1-8, 2016 | 63 | 2016 |
| Liquid-Liquid Critical Point in Phosphorus M Yang, T Karmakar, M Parrinello https://journals.aps.org/prl/abstract/10.1103/PhysRevLett.127.080603, 2021 | 35 | 2021 |
| Combined molecular dynamics and coordinate driving method for automatic reaction pathway search of reactions in solution M Yang, L Yang, G Wang, Y Zhou, D Xie, S Li Journal of Chemical Theory and Computation 14 (11), 5787-5796, 2018 | 20 | 2018 |
| Reactant-induced dynamics of lithium imide surfaces during the ammonia decomposition process M Yang, U Raucci, M Parrinello Nature Catalysis 6 (9), 829-836, 2023 | 19 | 2023 |
| Ammonia decomposition on lithium imide surfaces: a new paradigm in heterogeneous catalysis M Yang, U Raucci, M Parrinello | 6 | 2022 |
| How Does Structural Disorder Impact Heterogeneous Catalysts? The Case of Ammonia Decomposition on Non-stoichiometric Lithium Imide F Mambretti, U Raucci, M Yang, M Parrinello ACS Catalysis 14 (3), 1252-1256, 2024 | 3 | 2024 |
| DPA-2: Towards a universal large atomic model for molecular and material simulation D Zhang, X Liu, X Zhang, C Zhang, C Cai, H Bi, Y Du, X Qin, J Huang, B Li, ... arXiv preprint arXiv:2312.15492, 2023 | 3 | 2023 |
| Mechanistic Insight Into the AuCN Catalyzed Annulation Reaction of Salicylaldehyde and Aryl Acetylene: Cyanide Ion Promoted Umpolung Hydroacylation/Intramolecular Oxa-Michael … M Yang, G Wang, J Zou, S Li Frontiers in Chemistry 7, 557, 2019 | 2 | 2019 |
| Unveiling the crystallization mechanism of cadmium selenide via molecular dynamics simulation with machine-learning-based deep potential L Zhang, M Yang, S Zhang, H Niu Journal of Materials Science & Technology 185, 23-31, 2024 | | 2024 |
| Structure and polymerization of liquid sulfur across the λ-transition M Yang, E Trizio, M Parrinello Chemical Science 15 (9), 3382-3392, 2024 | | 2024 |
| Ab initio investigation of the crystallization mechanism of cadmium selenide L Zhang, M Yang, S Zhang, H Niu arXiv preprint arXiv:2305.17874, 2023 | | 2023 |
michele parrinelloDepartment of ChemistryVerified email at phys.chem.ethz.ch
