Zobrazeno 1 - 10
of 23
pro vyhledávání: '"Edirisuriya M. D. Siriwardane"'
Autor:
Lai Wei, Qinyang Li, Yuqi Song, Stanislav Stefanov, Rongzhi Dong, Nihang Fu, Edirisuriya M. D. Siriwardane, Fanglin Chen, Jianjun Hu
Publikováno v:
Advanced Science, Vol 11, Iss 36, Pp n/a-n/a (2024)
Abstract Self‐supervised neural language models have recently achieved unprecedented success from natural language processing to learning the languages of biological sequences and organic molecules. These models have demonstrated superior performan
Externí odkaz:
https://doaj.org/article/de0976dc7edb485c9a7f491c7061ce9c
Publikováno v:
Advanced Intelligent Systems, Vol 5, Iss 12, Pp n/a-n/a (2023)
Two‐dimensional (2D) materials offer great potential in various fields like superconductivity, quantum systems, and topological materials. However, designing them systematically remains challenging due to the limited pool of fewer than 100 experime
Externí odkaz:
https://doaj.org/article/d1bea25de4d84e5eb895cda8f1540f9a
Autor:
Jianjun Hu, Stanislav Stefanov, Yuqi Song, Sadman Sadeed Omee, Steph-Yves Louis, Edirisuriya M. D. Siriwardane, Yong Zhao, Lai Wei
Publikováno v:
npj Computational Materials, Vol 8, Iss 1, Pp 1-12 (2022)
Abstract The availability and easy access of large-scale experimental and computational materials data have enabled the emergence of accelerated development of algorithms and models for materials property prediction, structure prediction, and generat
Externí odkaz:
https://doaj.org/article/e7cbb9429a3b4796946849cebd2e15ec
Autor:
Yong Zhao, Mohammed Al‐Fahdi, Ming Hu, Edirisuriya M. D. Siriwardane, Yuqi Song, Alireza Nasiri, Jianjun Hu
Publikováno v:
Advanced Science, Vol 8, Iss 20, Pp n/a-n/a (2021)
Abstract High‐throughput screening has become one of the major strategies for the discovery of novel functional materials. However, its effectiveness is severely limited by the lack of sufficient and diverse materials in current materials repositor
Externí odkaz:
https://doaj.org/article/9a9a98f434104f35805496e42e0bdd1e
Autor:
Lai Wei, Nihang Fu, Edirisuriya M. D. Siriwardane, Wenhui Yang, Sadman Sadeed Omee, Rongzhi Dong, Rui Xin, Jianjun Hu
Publikováno v:
Inorganic Chemistry. 61:8431-8439
Fast and accurate crystal structure prediction (CSP) algorithms and web servers are highly desirable for the exploration and discovery of new materials out of the infinite chemical design space. However, currently, the computationally expensive first
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::55ef03533888544177da04d94f659964
https://doi.org/10.1021/acs.inorgchem.1c03879
https://doi.org/10.1021/acs.inorgchem.1c03879
Autor:
Yuqi Song, Steph-Yves M. Louis, Yong Zhao, Rui Xin, Alireza Nasiri, Edirisuriya M. D. Siriwardane, Jianjun Hu
Publikováno v:
The Journal of Physical Chemistry C. 125:16118-16128
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::3e1b0b83711e51594fd6b3e71f1cb4cc
https://doi.org/10.1021/acs.jpcc.1c02438
https://doi.org/10.1021/acs.jpcc.1c02438
Autor:
Li Xiang, Rongzhi Dong, Shaobo Li, Wenhui Yang, Edirisuriya M. D. Siriwardane, Jianjun Hu, Yuxin Li
Publikováno v:
CrystEngComm. 23:1765-1776
Crystal structure prediction is now playing an increasingly important role in the discovery of new materials or crystal engineering. Global optimization methods such as genetic algorithms (GAs) and particle swarm optimization have been combined with
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::7b8aa53bf1c024351b4d2f10ec37670c
https://doi.org/10.1039/d0ce01714k
https://doi.org/10.1039/d0ce01714k
Publikováno v:
The Journal of Physical Chemistry C. 124:1260-1268
Modern technology requires novel materials to develop efficient storage systems, which offer high storage capacities and charging/discharging rates while maintaining good mechanical stability and c...
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::9f16a14dfe128f4c25012142f35344be
https://doi.org/10.1021/acs.jpcc.9b07180
https://doi.org/10.1021/acs.jpcc.9b07180
Autor:
Edirisuriya M. D. Siriwardane, Jianjun Hu, Steph-Yves M. Louis, Rajendra P. Joshi, Neeraj Kumar
Performing first principle calculations to discover electrodes’ properties in the large chemical space is a challenging task. While machine learning (ML) has been applied to effectively accelerate those discoveries, most of the applied methods igno
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::bebaa58129d59ae50d6164a26a0fe7b3
https://doi.org/10.33774/chemrxiv-2021-6n061
https://doi.org/10.33774/chemrxiv-2021-6n061
Autor:
Yuqi Song, Ming Hu, Edirisuriya M. D. Siriwardane, Jianjun Hu, Yong Zhao, Mohammed Al-Fahdi, Alireza Nasiri
Publikováno v:
Advanced Science
Advanced Science, Vol 8, Iss 20, Pp n/a-n/a (2021)
Advanced Science, Vol 8, Iss 20, Pp n/a-n/a (2021)
High-throughput screening has become one of the major strategies for the discovery of novel functional materials. However, its effectiveness is severely limited by the lack of quantity and diversity of known materials deposited in the current materia
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::22c190e51dc016e4c23c1615c9dc0336
http://europepmc.org/articles/PMC8529451
http://europepmc.org/articles/PMC8529451