| 书目名称 | The Gaussian Approximation Potential |
| 副标题 | An Interatomic Poten |
| 编辑 | Albert Bartόk-Pártay |
| 视频video | |
| 概述 | Describes an important advance in the generation of accurate interatomic potentials.The method yields several orders of magnitude faster computations.Nominated as an outstanding contribution by the Th |
| 丛书名称 | Springer Theses |
| 图书封面 |  |
| 描述 | Simulation of materials at the atomistic level is an important tool in studying microscopic structures and processes. The atomic interactions necessary for the simulations are correctly described by Quantum Mechanics, but the size of systems and the length of processes that can be modelled are still limited. The framework of Gaussian Approximation Potentials that is developed in this thesis allows us to generate interatomic potentials automatically, based on quantum mechanical data. The resulting potentials offer several orders of magnitude faster computations, while maintaining quantum mechanical accuracy. The method has already been successfully applied for semiconductors and metals. |
| 出版日期 | Book 2010 |
| 关键词 | Bispectrum of rotational groups; Gaussian process; Interatomic potentials based on quantum mechanics; M |
| 版次 | 1 |
| doi | https://doi.org/10.1007/978-3-642-14067-9 |
| isbn_softcover | 978-3-642-26426-9 |
| isbn_ebook | 978-3-642-14067-9Series ISSN 2190-5053 Series E-ISSN 2190-5061 |
| issn_series | 2190-5053 |
| copyright | Springer-Verlag GmbH Berlin Heidelberg 2010 |
发表于 2025-3-21 17:08:44
