Study of intermetallics for corrosion and creep resistant microstructure in Mg-RE and Mg-Al-RE alloys through a data-centric high-throughput DFT framework P Priya, X Yan, S Chaudhuri Computational Materials Science 175, 109541, 2020 | 23 | 2020 |
A First-Principles-Based Approach to The High-Throughput Screening of Corrosion-Resistant High Entropy Alloys T Duong, Y Wang, X Yan, A Couet, S Chaudhuri arXiv preprint arXiv:2104.10590, 2021 | 3 | 2021 |
A generative artificial intelligence framework based on a molecular diffusion model for the design of metal-organic frameworks for carbon capture H Park, X Yan, R Zhu, EA Huerta, S Chaudhuri, D Cooper, I Foster, ... Communications Chemistry 7, 21, 2024 | 2* | 2024 |
Corrosion-resistance Microstructure Design using Mesoscale Modeling Environment for Additive Manufacturing for Co-Cr Alloys X Yan, A Samei, B Mercer, P Priya, S Chaudhuri Microscopy and Microanalysis 25 (S2), 2580-2581, 2019 | 2 | 2019 |
An interactive polymer building toolkit for molecular dynamics simulations: PolyMAPS X Yan, S Chaudhuri arXiv preprint arXiv:2204.14218, 2022 | 1 | 2022 |