Open Challenges in Developing Generalizable Large Scale Machine Learning Models for Catalyst Discovery

Open Challenges in Developing Generalizable Large Scale Machine Learning Models for Catalyst Discovery. Kolluru, A., Shuaibi, M., Palizhati, A., Shoghi, N., Das, A., Wood, B., Zitnick, C. L., Kitchin, J. R, & Ulissi, Z. W 2022.

Paper doi bibtex 13 downloads

@misc{https://doi.org/10.48550/arxiv.2206.02005,
  doi = {10.48550/ARXIV.2206.02005},
  
  url = {https://arxiv.org/abs/2206.02005},
  
  author = {Kolluru, Adeesh and Shuaibi, Muhammed and Palizhati, Aini and Shoghi, Nima and Das, Abhishek and Wood, Brandon and Zitnick, C. Lawrence and Kitchin, John R and Ulissi, Zachary W},
  
  keywords = {Chemical Physics (physics.chem-ph), Materials Science (cond-mat.mtrl-sci), FOS: Physical sciences, FOS: Physical sciences},
  
  title = {Open Challenges in Developing Generalizable Large Scale Machine Learning Models for Catalyst Discovery},
  
  publisher = {arXiv},
  
  year = {2022},
  
  copyright = {Creative Commons Attribution 4.0 International}
}

Downloads: 13

{"_id":"DTedLKjrua3Q2A9gP","bibbaseid":"kolluru-shuaibi-palizhati-shoghi-das-wood-zitnick-kitchin-etal-openchallengesindevelopinggeneralizablelargescalemachinelearningmodelsforcatalystdiscovery-2022","author_short":["Kolluru, A.","Shuaibi, M.","Palizhati, A.","Shoghi, N.","Das, A.","Wood, B.","Zitnick, C. L.","Kitchin, J. R","Ulissi, Z. W"],"bibdata":{"bibtype":"misc","type":"misc","doi":"10.48550/ARXIV.2206.02005","url":"https://arxiv.org/abs/2206.02005","author":[{"propositions":[],"lastnames":["Kolluru"],"firstnames":["Adeesh"],"suffixes":[]},{"propositions":[],"lastnames":["Shuaibi"],"firstnames":["Muhammed"],"suffixes":[]},{"propositions":[],"lastnames":["Palizhati"],"firstnames":["Aini"],"suffixes":[]},{"propositions":[],"lastnames":["Shoghi"],"firstnames":["Nima"],"suffixes":[]},{"propositions":[],"lastnames":["Das"],"firstnames":["Abhishek"],"suffixes":[]},{"propositions":[],"lastnames":["Wood"],"firstnames":["Brandon"],"suffixes":[]},{"propositions":[],"lastnames":["Zitnick"],"firstnames":["C.","Lawrence"],"suffixes":[]},{"propositions":[],"lastnames":["Kitchin"],"firstnames":["John","R"],"suffixes":[]},{"propositions":[],"lastnames":["Ulissi"],"firstnames":["Zachary","W"],"suffixes":[]}],"keywords":"Chemical Physics (physics.chem-ph), Materials Science (cond-mat.mtrl-sci), FOS: Physical sciences, FOS: Physical sciences","title":"Open Challenges in Developing Generalizable Large Scale Machine Learning Models for Catalyst Discovery","publisher":"arXiv","year":"2022","copyright":"Creative Commons Attribution 4.0 International","bibtex":"@misc{https://doi.org/10.48550/arxiv.2206.02005,\n doi = {10.48550/ARXIV.2206.02005},\n \n url = {https://arxiv.org/abs/2206.02005},\n \n author = {Kolluru, Adeesh and Shuaibi, Muhammed and Palizhati, Aini and Shoghi, Nima and Das, Abhishek and Wood, Brandon and Zitnick, C. Lawrence and Kitchin, John R and Ulissi, Zachary W},\n \n keywords = {Chemical Physics (physics.chem-ph), Materials Science (cond-mat.mtrl-sci), FOS: Physical sciences, FOS: Physical sciences},\n \n title = {Open Challenges in Developing Generalizable Large Scale Machine Learning Models for Catalyst Discovery},\n \n publisher = {arXiv},\n \n year = {2022},\n \n copyright = {Creative Commons Attribution 4.0 International}\n}\n\n\n","author_short":["Kolluru, A.","Shuaibi, M.","Palizhati, A.","Shoghi, N.","Das, A.","Wood, B.","Zitnick, C. L.","Kitchin, J. R","Ulissi, Z. W"],"key":"https://doi.org/10.48550/arxiv.2206.02005","id":"https://doi.org/10.48550/arxiv.2206.02005","bibbaseid":"kolluru-shuaibi-palizhati-shoghi-das-wood-zitnick-kitchin-etal-openchallengesindevelopinggeneralizablelargescalemachinelearningmodelsforcatalystdiscovery-2022","role":"author","urls":{"Paper":"https://arxiv.org/abs/2206.02005"},"keyword":["Chemical Physics (physics.chem-ph)","Materials Science (cond-mat.mtrl-sci)","FOS: Physical sciences","FOS: Physical sciences"],"metadata":{"authorlinks":{}},"downloads":13,"html":""},"bibtype":"misc","biburl":"http://ulissigroup.cheme.cmu.edu/downloads/publication_list.bib","dataSources":["mszzJEXcLmfWmbrn4"],"keywords":["chemical physics (physics.chem-ph)","materials science (cond-mat.mtrl-sci)","fos: physical sciences","fos: physical sciences"],"search_terms":["open","challenges","developing","generalizable","large","scale","machine","learning","models","catalyst","discovery","kolluru","shuaibi","palizhati","shoghi","das","wood","zitnick","kitchin","ulissi"],"title":"Open Challenges in Developing Generalizable Large Scale Machine Learning Models for Catalyst Discovery","year":2022,"downloads":13}