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AI for Materials Discovery

Artificial IntelligenceUpdated Oct 5, 2026Version v1

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

Evidence

Public papers linked to this topic and used as evidence for gaps, timelines, and knowledge views.

83 papers

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Showing 73-83 of total 83 evidence records.

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2018OpenAlexSupporting evidence24 citations

Phase‐Mapper: Accelerating Materials Discovery with AI

Junwen Bai; Yexiang Xue; Johan Björck; Ronan Le Bras; Brendan Rappazzo; Richard Bernstein; Santosh K. Suram; R. B. van Dover; John M. Gregoire; Carla P. Gomes

Mar 1, 2018AI Magazine

2017OpenAlexSupporting evidence1,952 citations

Machine learning in materials informatics: recent applications and prospects

Rampi Ramprasad; Rohit Batra; Ghanshyam Pilania; Arun Mannodi‐Kanakkithodi; Chiho Kim

Dec 7, 2017npj Computational Materials

2017OpenAlexSupporting evidence1,237 citations

Materials discovery and design using machine learning

Yue Liu; Tianlu Zhao; Wangwei Ju; Siqi Shi

Aug 8, 2017Journal of Materiomics

2016CrossrefDirectly related17 citations

Materials Informatics: Statistical Modeling in Material Science

Abraham Yosipof; Klimentiy Shimanovich; Hanoch Senderowitz

Dec 1, 2016Molecular Informatics

2016OpenAlexSupporting evidence1,836 citations

A general-purpose machine learning framework for predicting properties of inorganic materials

Logan T. Ward; Ankit Kumar Agrawal; Alok Choudhary; Christopher Wolverton

Aug 26, 2016npj Computational Materials

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

2015OpenAlexSupporting evidence50K citations

Adam: A Method for Stochastic Optimization

Mandi, Jayanta; Canoy, Rocsildes; Bucarey, Víctor; Guns, Tias

May 1, 2015DROPS (Schloss Dagstuhl – Leibniz Center for Informatics)

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

2014OpenAlexSupporting evidence64 citations

Integrated computational materials discovery of silver doped tin sulfide as a thermoelectric material

Chandan Bera; Stéphane Jacob; Ingo Opahle; N. S. Harsha Gunda; Radosław Chmielowski; Gilles Dennler; Georg K. H. Madsen

Jan 1, 2014Physical Chemistry Chemical Physics

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AI for Materials Discovery — Research Evidence and Topic Memory | Kritoma