Computation-led discovery of functional molecular materials
نویسندگان
چکیده
منابع مشابه
Human Computation for Combinatorial Materials Discovery
We will show how human computation can dramatically speed up the performance of combinatorial optimization methods. We describe our work in the context of the domain of materials discovery. Our approach leverages the complementary strength of human input, providing global insights into problem structure, and the power of combinatorial solvers to exploit complex local constraints.
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μl √ τl ∼ N(0, ψ). When performing inference, we let ψ →∞ and essentially assume a flat prior for the intercept. This prior provides no shrinkage effect, and allows the intercept term absorbing much of variation in yl. Conditional on γli = 1, we also assign a normal prior to the genetic effect βli . More specifically, we assume βli √ τl | γli = 1 ∼ N(0, φ). In particular, the prior genetic heri...
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The growing role of structural studies of materials and of computation in structural science is highlighted.
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ژورنال
عنوان ژورنال: Acta Crystallographica Section A Foundations and Advances
سال: 2018
ISSN: 2053-2733
DOI: 10.1107/s2053273318093476