| High-Throughput Discovery of Novel Cubic Crystal Materials Using Deep Generative Neural Networks Y Zhao, M Al-Fahdi, M Hu, EMD Siriwardane, Y Song, A Nasiri, J Hu Advanced Science 8, 2100566, 2021 | 98 | 2021 |
| Computational discovery of new 2D materials using deep learning generative models Y Song, EMD Siriwardane, Y Zhao, J Hu ACS Applied Materials & Interfaces 13 (45), 53303-53313, 2021 | 65 | 2021 |
| Strain–Spintronics: Modulating Electronic and Magnetic Properties of Hf2MnC2O2 MXene by Uniaxial Strain EMD Siriwardane, P Karki, YL Loh, D Çakır The Journal of Physical Chemistry C 123 (19), 12451-12459, 2019 | 42 | 2019 |
| Revealing the formation energy–exfoliation energy–structure correlation of MAB phases using machine learning and DFT EMD Siriwardane, RP Joshi, N Kumar, D Çakır ACS applied materials & interfaces 12 (26), 29424-29431, 2020 | 40 | 2020 |
| Physics guided deep learning for generative design of crystal materials with symmetry constraints Y Zhao, EMD Siriwardane, Z Wu, N Fu, M Al-Fahdi, M Hu, J Hu npj Computational Materials 9 (1), 38, 2023 | 38 | 2023 |
| Assessment of sulfur-functionalized MXenes for Li-ion battery applications EMD Siriwardane, I Demiroglu, C Sevik, FM Peeters, D Çakır The Journal of Physical Chemistry C 124 (39), 21293-21304, 2020 | 38 | 2020 |
| MaterialsAtlas. org: a materials informatics web app platform for materials discovery and survey of state-of-the-art J Hu, S Stefanov, Y Song, SS Omee, SY Louis, EMD Siriwardane, Y Zhao, ... npj Computational Materials 8 (1), 65, 2022 | 35 | 2022 |
| TCSP: a template-based crystal structure prediction algorithm for materials discovery L Wei, N Fu, EMD Siriwardane, W Yang, SS Omee, R Dong, R Xin, J Hu Inorganic Chemistry 61 (22), 8431-8439, 2022 | 31 | 2022 |
| Strain engineering of electronic and magnetic properties of double-transition metal ferromagnetic semiconductor MXenes EMD Siriwardane, Deniz Çakir Journal of Applied Physics 125, 082527, 2019 | 31 | 2019 |
| Material transformers: deep learning language models for generative materials design N Fu, L Wei, Y Song, Q Li, R Xin, SS Omee, R Dong, EMD Siriwardane, ... Machine Learning: Science and Technology 4 (1), 015001, 2023 | 28 | 2023 |
| Achieving fast kinetics and enhanced Li storage capacity for Ti3C2O2 by intercalation of quinone molecules EMD Siriwardane, I Demiroglu, C Sevik, D Cakir ACS Applied Energy Materials, 2019 | 28 | 2019 |
| Accurate prediction of voltage of battery electrode materials using attention-based graph neural networks SY Louis, EMD Siriwardane, RP Joshi, SS Omee, N Kumar, J Hu ACS Applied Materials & Interfaces 14 (23), 26587-26594, 2022 | 25 | 2022 |
| Contact map based crystal structure prediction using global optimization J Hu, W Yang, R Dong, Y Li, X Li, S Li, EMD Siriwardane CrystEngComm 23 (8), 1765-1776, 2021 | 23 | 2021 |
| Active-learning-based generative design for the discovery of wide-band-gap materials R Xin, EMD Siriwardane, Y Song, Y Zhao, SY Louis, A Nasiri, J Hu The Journal of Physical Chemistry C 125 (29), 16118-16128, 2021 | 22 | 2021 |
| First-Principles Investigation of Ti2CSO and Ti2CSSe Janus MXene Structures for Li and Mg Electrodes EMD Siriwardane, J Hu The Journal of Physical Chemistry C 125 (23), 12469-12477, 2021 | 22 | 2021 |
| Crystal Composition Transformer: Self‐Learning Neural Language Model for Generative and Tinkering Design of Materials L Wei, Q Li, Y Song, S Stefanov, R Dong, N Fu, EMD Siriwardane, F Chen, ... Advanced Science 11 (36), 2304305, 2024 | 16 | 2024 |
| Generative design of stable semiconductor materials using deep learning and density functional theory EMD Siriwardane, Y Zhao, I Perera, J Hu npj Computational Materials 8 (1), 164, 2022 | 16 | 2022 |
| Crystal structure prediction of materials with high symmetry using differential evolution W Yang, EMD Siriwardane, R Dong, Y Li, J Hu Journal of Physics: Condensed Matter 33 (45), 455902, 2021 | 16 | 2021 |
| Alphacrystal: Contact map based crystal structure prediction using deep learning J Hu, Y Zhao, Q Li, Y Song, R Dong, W Yang, E Siriwardane arXiv preprint arXiv:2102.01620, 2021 | 10 | 2021 |
| Distance matrix-based crystal structure prediction using evolutionary algorithms J Hu, W Yang, EM Dilanga Siriwardane The Journal of Physical Chemistry A 124 (51), 10909-10919, 2020 | 10 | 2020 |
Jianjun HuProfessor of Computer Science, University of South CarolinaVerified email at cse.sc.edu