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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.

51 papers

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Showing 37-48 of total 51 evidence records.

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2020OpenAlexSupporting evidence18 citations

Scientific AI in materials science: a path to a sustainable and scalable paradigm

Brian DeCost; Jason Hattrick‐Simpers; Zachary Trautt; A. Gilad Kusne; Eva M. Campo; ML Green

Jun 5, 2020Machine Learning Science and Technology

2020OpenAlexSupporting evidence489 citations

Opportunities and Challenges for Machine Learning in Materials Science

Dane Morgan; Ryan Jacobs

May 6, 2020Annual Review of Materials Research

2020OpenAlexSupporting evidence618 citations

A Critical Review of Machine Learning of Energy Materials

Chi Chen; Yunxing Zuo; Weike Ye; Xiangguo Li; Zhi Deng; Shyue Ping Ong

Jan 29, 2020Advanced Energy Materials

2019OpenAlexSupporting evidence856 citations

DScribe: Library of descriptors for machine learning in materials science

Lauri Himanen; Marc O. J. Jäger; Eiaki V. Morooka; Filippo Federici Canova; Yashasvi S. Ranawat; David Gao; Patrick Rinke; Adam S. Foster

Sep 26, 2019Computer Physics Communications

2019OpenAlexSupporting evidence2,657 citations

Recent advances and applications of machine learning in solid-state materials science

Jonathan Schmidt; Mário R. G. Marques; Silvana Botti; Miguel A. L. Marques

Aug 8, 2019npj Computational Materials

2019CrossrefSupporting evidence278 citations

Genetic algorithms for computational materials discovery accelerated by machine learning

Paul C. Jennings; Steen Lysgaard; Jens Strabo Hummelshøj; Tejs Vegge; Thomas Bligaard

Apr 10, 2019npj Computational Materials

2019OpenAlexSupporting evidence64 citations

Materials Informatics for Heat Transfer: Recent Progresses and Perspectives

Shenghong Ju; Junichiro Shiomi

Feb 19, 2019Nanoscale and Microscale Thermophysical Engineering

2018OpenAlexDirectly related2,196 citations

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

Benjamín Sánchez-Lengeling; Alán Aspuru‐Guzik

Jul 26, 2018Science

2018OpenAlexSupporting evidence1,248 citations

The Computational 2D Materials Database: high-throughput modeling and discovery of atomically thin crystals

Sten Haastrup; Mikkel Strange; Mohnish Pandey; Thorsten Deilmann; Per S. Schmidt; Nicki F. Hinsche; Morten N. Gjerding; Daniele Torelli; Peter Mahler Larsen; Anders C. Riis-Jensen; Jakob Gath; Karsten W. Jacobsen; Jens Jørgen Mortensen; Thomas Olsen; Kristian S. Thygesen

Jun 28, 20182D Materials

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

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