Work

Hyperspatial optimization of structures

Year: 2019

Type: article

Abstract: The atomic structure of matter determines its physical properties, and structure prediction has become an increasingly important theoretical task. The possible existence of more spatial dimensions than the usual three inspires science and literature. Whether of not they exist, these extra spatial dimensions can be created computationally, and in this article it is shown that this accelerates the search for the low-energy arrangements of atoms. Traps that exist in lower dimensions are circumvented, while knots and tangles become trivial.

Source: Physical review. B./Physical review. B

DOI: 10.1103/physrevb.99.054102

Author: Chris J. Pickard

Institutions: Tohoku University, University of Cambridge, Institute for Materials Research, Tohoku University

Language: English

Topic: Machine Learning in Materials Science

Subfield: Materials Chemistry

Field: Materials Science

Domain: Physical Sciences

Open Access status: green

Funders: Royal Society, Engineering and Physical Sciences Research Council

Awards: G4662479231, Support for the UKCP consortium