Výsledky vyhledávání - "John R. Kitchin"

Akademický článek

pybliometrics: Scriptable bibliometrics using a Python interface to Scopus

Publikováno v: SoftwareX, Vol 10, Iss , Pp - (2019)

We present a wrapper for the Scopus RESTful API written for Python 3. The wrapper allows users to access the Scopus database via user-friendly interfaces and can be used without prior knowledge of RESTful APIs. The package provides classes to interac

Externí odkaz: https://doaj.org/article/d7a050ca684948218bc52aa60edcbc8f

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Akademický článek

Generalization of graph-based active learning relaxation strategies across materials

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

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Akademický článek

Circumventing data imbalance in magnetic ground state data for magnetic moment predictions

Autor: Rohan Yuri Sanspeur, John R Kitchin

Publikováno v: Machine Learning: Science and Technology, Vol 5, Iss 1, p 015023 (2024)

Magnetic materials play a crucial role in the transition to more sustainable forms of energy and electric vehicles. There is an anticipated shortage in magnetic materials in the future, and as a result there is an urgent need to discover and design n

Externí odkaz: https://doaj.org/article/367794dc991141d1a34afaa6b89a407b

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