Zobrazeno 1 - 5
of 5
pro vyhledávání: '"Joseph Musielewicz"'
Autor:
Xiaoxiao Wang, Joseph Musielewicz, Richard Tran, Sudheesh Kumar Ethirajan, Xiaoyan Fu, Hilda Mera, John R Kitchin, Rachel C Kurchin, Zachary W Ulissi
Publikováno v:
Machine Learning: Science and Technology, Vol 5, Iss 2, p 025018 (2024)
Although density functional theory (DFT) has aided in accelerating the discovery of new materials, such calculations are computationally expensive, especially for high-throughput efforts. This has prompted an explosion in exploration of machine learn
Externí odkaz:
https://doaj.org/article/20ecae75a8384f14a7101708909c445d
Machine learning approaches have the potential to approximate Density Functional Theory (DFT) for atomistic simulations in a computationally efficient manner, which could dramatically increase the impact of computational simulations on real-world pro
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::49d2bbfdd151aca2ea141d180e8dea85
Publikováno v:
Machine Learning: Science and Technology. 3:045028
Uncertainty quantification (UQ) is important to machine learning (ML) force fields to assess the level of confidence during prediction, as ML models are not inherently physical and can therefore yield catastrophically incorrect predictions. Establish
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::3ebf66631acacfdf3df897279cc5f42a
https://doi.org/10.1088/2632-2153/aca7b1
https://doi.org/10.1088/2632-2153/aca7b1
Autor:
Trinh Huynh, Joseph Connor Graves, Nigel F. Reuel, Joseph Musielewicz, Nathaniel E. Kallmyer, Denis Tamiev
Publikováno v:
Carbon. 139:609-613
As nanomaterials have become more accessible, nanoscale biosensor research has expanded to many useful applications. One such nanomaterial is the single-walled carbon nanotube (SWCNT), which fluoresces in the near-infrared biological window, making i
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::d748de6069ea5e36ed077b08d0fc0ea3
https://doi.org/10.1016/j.carbon.2018.07.028
https://doi.org/10.1016/j.carbon.2018.07.028
Publikováno v:
Analytical chemistry. 90(8)
Hydrolytic enzymes are a topic of continual study and improvement due to their industrial impact and biological implications; however, the ability to measure the activity of these enzymes, especially in high-throughput assays, is limited to an establ
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::b109477c45e604e98e9304a20dc3dc80
https://pubmed.ncbi.nlm.nih.gov/29554802
https://pubmed.ncbi.nlm.nih.gov/29554802