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Literature DB >> 25803462

Inorganic materials: The quest for new functionality.

Aron Walsh¹.

Abstract

Year: 2015 PMID： 25803462 DOI： 10.1038/nchem.2213

Source DB: PubMed Journal: Nat Chem ISSN： 1755-4330 Impact factor: 24.427

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4 in total

1. Crystal structure prediction from first principles.

Authors: Scott M Woodley; Richard Catlow
Journal: Nat Mater Date: 2008-12 Impact factor: 43.841

2. Prediction and accelerated laboratory discovery of previously unknown 18-electron ABX compounds.

Authors: Romain Gautier; Xiuwen Zhang; Linhua Hu; Liping Yu; Yuyuan Lin; Tor O L Sunde; Danbee Chon; Kenneth R Poeppelmeier; Alex Zunger
Journal: Nat Chem Date: 2015-04 Impact factor: 24.427

3. The high-throughput highway to computational materials design.

Authors: Stefano Curtarolo; Gus L W Hart; Marco Buongiorno Nardelli; Natalio Mingo; Stefano Sanvito; Ohad Levy
Journal: Nat Mater Date: 2013-03 Impact factor: 43.841

4. Unexpected stable stoichiometries of sodium chlorides.

Authors: Weiwei Zhang; Artem R Oganov; Alexander F Goncharov; Qiang Zhu; Salah Eddine Boulfelfel; Andriy O Lyakhov; Elissaios Stavrou; Maddury Somayazulu; Vitali B Prakapenka; Zuzana Konôpková
Journal: Science Date: 2013-12-20 Impact factor: 47.728

4 in total

9 in total

Review 1. QSAR without borders.

Authors: Eugene N Muratov; Jürgen Bajorath; Robert P Sheridan; Igor V Tetko; Dmitry Filimonov; Vladimir Poroikov; Tudor I Oprea; Igor I Baskin; Alexandre Varnek; Adrian Roitberg; Olexandr Isayev; Stefano Curtarolo; Denis Fourches; Yoram Cohen; Alan Aspuru-Guzik; David A Winkler; Dimitris Agrafiotis; Artem Cherkasov; Alexander Tropsha
Journal: Chem Soc Rev Date: 2020-05-01 Impact factor: 54.564

2. Accelerated Discovery of Efficient Solar-cell Materials using Quantum and Machine-learning Methods.

Authors: Kamal Choudhary; Marnik Bercx; Jie Jiang; Ruth Pachter; Dirk Lamoen; Francesca Tavazza
Journal: Chem Mater Date: 2019 Impact factor: 9.811

Review 3. Artificial Intelligence Applied to Battery Research: Hype or Reality?

Authors: Teo Lombardo; Marc Duquesnoy; Hassna El-Bouysidy; Fabian Årén; Alfonso Gallo-Bueno; Peter Bjørn Jørgensen; Arghya Bhowmik; Arnaud Demortière; Elixabete Ayerbe; Francisco Alcaide; Marine Reynaud; Javier Carrasco; Alexis Grimaud; Chao Zhang; Tejs Vegge; Patrik Johansson; Alejandro A Franco
Journal: Chem Rev Date: 2021-09-16 Impact factor: 72.087

Inorganic materials: The quest for new functionality.

1. Crystal structure prediction from first principles.

2. Prediction and accelerated laboratory discovery of previously unknown 18-electron ABX compounds.

3. The high-throughput highway to computational materials design.

4. Unexpected stable stoichiometries of sodium chlorides.

Review 1. QSAR without borders.

2. Accelerated Discovery of Efficient Solar-cell Materials using Quantum and Machine-learning Methods.

Review 3. Artificial Intelligence Applied to Battery Research: Hype or Reality?

4. Exploring long-wave infrared transmitting materials with AxBy form: First-principles gene-like studies.

5. Universal fragment descriptors for predicting properties of inorganic crystals.

6. On the application of the tolerance factor to inorganic and hybrid halide perovskites: a revised system.

Review 7. Machine learning for molecular and materials science.

8. Computational materials design of crystalline solids.

9. Perspective: Theory and simulation of hybrid halide perovskites.