Machine Learning Interatomic Potentials Enable Molecular Dynamics Simulations of Doped MoS2

arXiv:2510.05339v3 Announce Type: replace-cross Abstract: Dopants can tune the performance of MoS2 in various applications, but use of molecular dynamics simulations for doped MoS2 materials discovery is limited by the lack of multi-dopant interatomic potentials. Universal mac...

🔗 Read more: https://arxiv.org/abs/2510.05339

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