AI for Materials Discovery

Artificial IntelligenceUpdated Oct 5, 2026Version v1

Evidence

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

83 papers

Showing 61-72 of total 83 evidence records.

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2020OpenAlexDirectly related352 citations

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

Nov 27, 2020Chemistry of Materials

2020OpenAlexSupporting evidence24K citations

Array programming with NumPy

Charles R. Harris; K. Jarrod Millman; Stéfan J. van der Walt; Ralf Gommers; Pauli Virtanen; David Cournapeau; Eric Wieser; Julian Taylor; Sebastian Berg; Nathaniel J. Smith; Robert Kern; Matti Picus; Stephan Hoyer; Marten H. van Kerkwijk; Matthew Brett; Allan Haldane; Jaime Fernández del Río; Mark Wiebe; Pearu Peterson; Pierre Gérard-Marchant; Kevin Sheppard; Tyler Reddy; Warren Weckesser; Hameer Abbasi; Christoph Gohlke; Travis E. Oliphant

Sep 16, 2020Nature

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

2019OpenAlexDirectly related306 citations

Deep materials informatics: Applications of deep learning in materials science

Ankit Agrawal; Alok Choudhary

Jun 13, 2019MRS Communications

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