المؤلفون: Gbolade O. Kayode, Matthew M. Montemore

مصطلحات موضوعية: Genetics, Biological Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, Information Systems not elsewhere classified, providing significant improvements, multifidelity data sets, mean absolute errors, 10 data points, interpretability machine learning, many possible intermediates, potential catalytic materials, new feature representations, learned chemical environment, despite recent advances, promoting transfer learning, including transfer learning, higher data efficiency, experimental data set, 20 – 0, many different applications, requiring new models, transfer learning, many adsorbates, screen materials, recent years, new models, new application, chemical principles, useful levels, transition states

Relation: https://figshare.com/articles/journal_contribution/Latent_Variable_Machine_Learning_Framework_for_Catalysis_General_Models_Transfer_Learning_and_Interpretability/24871357

الاتاحة: https://doi.org/10.1021/jacsau.3c00419.s001
https://figshare.com/articles/journal_contribution/Latent_Variable_Machine_Learning_Framework_for_Catalysis_General_Models_Transfer_Learning_and_Interpretability/24871357

المؤلفون: Ji-Sang Park (1368531), Jina Jung (4901917), Sangwook Lee (1585906)

مصطلحات موضوعية: Biophysics, Medicine, Molecular Biology, Physiology, Pharmacology, Biotechnology, Cancer, Space Science, Biological Sciences not elsewhere classified, Mathematical Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, Physical Sciences not elsewhere classified, optoelectronic applications, Vacancy-Ordered Halide Perovskites ., benchmark calculation, theory calculations, point meshes, Cs 2 NaInBr 6, vacancy-ordered perovskites, non-self-consistent field calculati., 30 times, semiconductor materials, band gaps, theory calculation, high-throughput calculations, computation costs, screen materials, Cost-Effective High-Throughput Calc., Hybrid Density Functional Theory, 290 materials

Relation: https://figshare.com/articles/journal_contribution/Cost-Effective_High-Throughput_Calculation_Based_on_Hybrid_Density_Functional_Theory_Application_to_Cubic_Double_and_Vacancy-Ordered_Halide_Perovskites/15157066

الاتاحة: https://doi.org/10.1021/acs.jpclett.1c02244.s001

المؤلفون: Michihiko KOJIMA, Teruo YAMAMOTO, 小島 信彦, 山本 光男

المصدر: 農業土木学会論文集 / Transactions of The Japanese Society of Irrigation, Drainage and Reclamation Engineering. 1998, 1998(197):885

المساهمون: Splettstosser, H

المصدر: Mater. Eval. 29: No. 9, 205-8(Sep 1971).; Other Information: Orig. Receipt Date: 31-DEC-72

وصف الملف: Medium: X

URL الوصول: http://www.osti.gov/scitech/biblio/4707442

المؤلفون: Matthew Witman (3610625), Gustav Ek (4813734), Sanliang Ling (1562929), Jeffery Chames (10721071), Sapan Agarwal (7486280), Justin Wong (3561401), Mark D. Allendorf (1276962), Martin Sahlberg (1263993), Vitalie Stavila (589917)

مصطلحات موضوعية: Evolutionary Biology, Space Science, Biological Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, Information Systems not elsewhere classified, ML model, entropy alloy, use cases, laboratory validation, screen materials, property predictions, novel hydrides, heat pumps, combinatorial composition space, hydrogen storage materials, Data-Driven Discovery, composition space, benchmark HEA hydride, desorption enthalpy, Targeted Thermodynamic Stability So., novel hydriding materials, alloy phase stability, hydride thermodynamics, metal hydride-based hydrogen compre., HEA space, High Entropy Alloy Hydrides, screens hydride stability, TiVZrNbHfH x, crystal structures, data-driven approach

Relation: https://figshare.com/articles/dataset/Data-Driven_Discovery_and_Synthesis_of_High_Entropy_Alloy_Hydrides_with_Targeted_Thermodynamic_Stability/14509243

الاتاحة: https://doi.org/10.1021/acs.chemmater.1c00647.s002