Benchmarking materials property prediction methods: the Matbench test set and Automatminer reference algorithm
نویسندگان
چکیده
منابع مشابه
Reference materials and representative test materials to develop nanoparticle characterization methods: the NanoChOp project case
This paper describes the production and characteristics of the nanoparticle test materials prepared for common use in the collaborative research project NanoChOp (Chemical and optical characterization of nanomaterials in biological systems), in casu suspensions of silica nanoparticles and CdSe/CdS/ZnS quantum dots (QDs). This paper is the first to illustrate how to assess whether nanoparticle t...
متن کاملthe relationship between learners critical thinking ability and their performance in the reading sections of the tofel and ielts test
the study reflected in this thesis aims at finding out relationships between critical thinking (ct), and the reading sections of tofel and ielts tests. the study tries to find any relationships between the ct ability of students and their performance on reading tests of tofel and academic ielts. however, no research has ever been conducted to investigate the relationship between ct and the read...
15 صفحه اول1D Piezoelectric Material Based Nanogenerators: Methods, Materials and Property Optimization.
Due to the enhanced piezoelectric properties, excellent mechanical properties and tunable electric properties, one-dimensional (1D) piezoelectric materials have shown their promising applications in nanogenerators (NG), sensors, actuators, electronic devices etc. To present a clear view about 1D piezoelectric materials, this review mainly focuses on the characterization and optimization of the ...
متن کاملNew accurate reference energies for the G2/97 test set.
A recently proposed computational protocol is employed to obtain highly accurate atomization energies for the full G2/97 test set, which consists of 148 diverse molecules. This computational protocol is based on the explicitly correlated coupled-cluster method with iterative single and double excitations as well as perturbative triple excitations, using quadruple-ζ basis sets. Corrections for h...
متن کاملHierarchical Clustering for Fuzzy Modeling of Materials Property Prediction
A simple and effective fuzzy clustering approach is presented for fuzzy modeling from industrial data. In this approach, fuzzy clustering is implemented in two phases: data compression by a self-organizing network, and fuzzy partitioning via fuzzy cmeans clustering associated with a proposed cluster validity measure. The approach is used to extract fuzzy models from data and find out the optima...
متن کاملذخیره در منابع من
با ذخیره ی این منبع در منابع من، دسترسی به آن را برای استفاده های بعدی آسان تر کنید
ژورنال
عنوان ژورنال: npj Computational Materials
سال: 2020
ISSN: 2057-3960
DOI: 10.1038/s41524-020-00406-3