4.1 Article

Three new crystal structures in the Na-Pb system: solving structures without additional experimental input

相关参考文献

注意:仅列出部分参考文献,下载原文获取全部文献信息。
Article Computer Science, Interdisciplinary Applications

Symmetry building Monte Carlo-based crystal structure prediction

Kyle Jay Michel et al.

COMPUTER PHYSICS COMMUNICATIONS (2014)

Article Electrochemistry

In Situ XRD Study of Silicon, Lead and Bismuth Negative Electrodes in Nonaqueous Sodium Cells

L. D. Ellis et al.

JOURNAL OF THE ELECTROCHEMICAL SOCIETY (2014)

Article Chemistry, Physical

A hybrid computational-experimental approach for automated crystal structure solution

Bryce Meredig et al.

NATURE MATERIALS (2013)

Article Materials Science, Multidisciplinary

Evolution of crystal structures in metallic elements

Atsushi Togo et al.

PHYSICAL REVIEW B (2013)

Article Chemistry, Medicinal

Information-Theoretic Approach for the Discovery of Design Rules for Crystal Chemistry

Chang Sun Kong et al.

JOURNAL OF CHEMICAL INFORMATION AND MODELING (2012)

Article Chemistry, Multidisciplinary

Morphology Control of Nanostructures: Na-Doped PbTe-PbS System

Jiaqing He et al.

NANO LETTERS (2012)

Article Computer Science, Interdisciplinary Applications

XTALOPT: An open-source evolutionary algorithm for crystal structure prediction

David C. Lonie et al.

COMPUTER PHYSICS COMMUNICATIONS (2011)

Review Physics, Condensed Matter

Ab initio random structure searching

Chris J. Pickard et al.

JOURNAL OF PHYSICS-CONDENSED MATTER (2011)

Article Chemistry, Physical

Finding Nature's Missing Ternary Oxide Compounds Using Machine Learning and Density Functional Theory

Geoffroy Hautier et al.

CHEMISTRY OF MATERIALS (2010)

Article Materials Science, Multidisciplinary

Crystal structure prediction via particle-swarm optimization

Yanchao Wang et al.

PHYSICAL REVIEW B (2010)

Review Chemistry, Physical

Crystal structure prediction from first principles

Scott M. Woodley et al.

NATURE MATERIALS (2008)

Article Chemistry, Physical

When is H2O not water?

Chris J. Pickard et al.

JOURNAL OF CHEMICAL PHYSICS (2007)

Article Chemistry, Physical

Predicting crystal structure by merging data mining with quantum mechanics

Christopher C. Fischer et al.

NATURE MATERIALS (2006)

Article Chemistry, Physical

Crystal structure prediction using ab initio evolutionary techniques:: Principles and applications

Artem R. Oganov et al.

JOURNAL OF CHEMICAL PHYSICS (2006)

Article Physics, Multidisciplinary

Predicting crystal structures with data mining of quantum calculations

S Curtarolo et al.

PHYSICAL REVIEW LETTERS (2003)