AI for Materials Discovery

Artificial IntelligenceUpdated Oct 5, 2026Version v1

Knowledge Timeline Gaps (1)Evidence (83)Community (0)

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Showing 25-33 of total 33 evidence records.

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2022CrossrefDirectly related122 citations

Deep Generative Models for Materials Discovery and Machine Learning-Accelerated Innovation

Addis S. Fuhr; Bobby G. Sumpter

Mar 22, 2022Frontiers in Materials

2020OpenAlexDirectly related352 citations

Materials Informatics with PoreBlazer v4.0 and the CSD MOF Database

Lev Sarkisov; Rocío Bueno-Pérez; Mythili Sutharson; David Fairen‐Jiménez

Nov 27, 2020Chemistry of Materials

2019OpenAlexDirectly related306 citations

Deep materials informatics: Applications of deep learning in materials science

Ankit Agrawal; Alok Choudhary

Jun 13, 2019MRS Communications

2018OpenAlexDirectly related2,196 citations

Inverse molecular design using machine learning: Generative models for matter engineering

Benjamín Sánchez-Lengeling; Alán Aspuru‐Guzik

Jul 26, 2018Science

2016CrossrefDirectly related17 citations

Materials Informatics: Statistical Modeling in Material Science

Abraham Yosipof; Klimentiy Shimanovich; Hanoch Senderowitz

Dec 1, 2016Molecular Informatics

2016OpenAlexDirectly related1,369 citations

Perspective: Materials informatics and big data: Realization of the “fourth paradigm” of science in materials science

Ankit Agrawal; Alok Choudhary

Apr 15, 2016APL Materials

2016OpenAlexDirectly related114 citations

Materials informatics: a journey towards material design and synthesis

Keisuke Takahashi; Yuzuru Tanaka

Jan 1, 2016Dalton Transactions

2015OpenAlexDirectly related305 citations

Materials Informatics: The Materials “Gene” and Big Data

Krishna Rajan

Jul 1, 2015Annual Review of Materials Research

2015OpenAlexDirectly related121 citations

Discovery of optimal zeolites for challenging separations and chemical transformations using predictive materials modeling

Peng Bai; Mi Young Jeon; Limin Ren; Chris Knight; Michael W. Deem; Michael Tsapatsis; J. Ilja Siepmann

Jan 21, 2015Nature Communications

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