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標(biāo)題: Titlebook: Bayesian Optimization for Materials Science; Daniel Packwood Book 2017 The Author(s) 2017 Bayesian optimisation.intermolecular interaction [打印本頁]

作者: 摩擦    時(shí)間: 2025-3-21 16:05
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作者: abduction    時(shí)間: 2025-3-22 10:21
Bayesian Optimization of Molecules Adsorbed to Metal Surfaces,int in applying Bayesian optimization to such a simple system, as the full potential energy curve can be quickly calculated using simple quantum chemistry. In this chapter, we consider a more complex situation, consisting of organic molecules adsorbed to a metal surface.
作者: TOXIC    時(shí)間: 2025-3-22 13:47
https://doi.org/10.1007/978-3-030-73151-9int in applying Bayesian optimization to such a simple system, as the full potential energy curve can be quickly calculated using simple quantum chemistry. In this chapter, we consider a more complex situation, consisting of organic molecules adsorbed to a metal surface.
作者: 阻撓    時(shí)間: 2025-3-22 17:57
Friedrich Vogel,Arno G. Motulsky M. D.Like any other field of research, materials science involves a lot of trial and error: in the process of creating a new material or device, we will inevitably make several prototypes which fail to perform as hoped.
作者: circumvent    時(shí)間: 2025-3-23 00:05
Friedrich Vogel,Arno G. Motulsky M.D.In this chapter, we introduce the theory of Bayesian optimization procedure and illustrate its application to a simple problem. A more involved application of Bayesian optimization will be presented in Chap.?..
作者: 做作    時(shí)間: 2025-3-23 05:12
Overview of Bayesian Optimization in Materials Science,Like any other field of research, materials science involves a lot of trial and error: in the process of creating a new material or device, we will inevitably make several prototypes which fail to perform as hoped.
作者: 正面    時(shí)間: 2025-3-23 09:17
Theory of Bayesian Optimization,In this chapter, we introduce the theory of Bayesian optimization procedure and illustrate its application to a simple problem. A more involved application of Bayesian optimization will be presented in Chap.?..
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https://doi.org/10.1007/978-981-10-6781-5Bayesian optimisation; intermolecular interaction; surface; catalyst; density functional theory
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