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

Logan Ward, Ankit Agrawal, Alok Choudhary, +1

npj Computational Materials

Matminer: An open source toolkit for materials data mining

Logan Ward, Alexander Dunn, Alireza Faghaninia, +13

Computational Materials Science

Materials ScienceOpen Source ToolkitEngineeringMachine LearningData Science +6

Accelerated discovery of metallic glasses through iteration of machine learning and high-throughput experiments

Fang Ren, Logan Ward, Travis Williams, +4

Science Advances

ElemNet: Deep Learning the Chemistry of Materials From Only Elemental Composition

Dipendra Jha, Logan Ward, Arindam Paul, +4

Scientific Reports

Including crystal structure attributes in machine learning models of formation energies via Voronoi tessellations

Logan Ward, Ruoqian Liu, Amar Krishna, +4

Physical review. B./Physical review. B

Crystal StructureEngineeringMachine LearningMaterial SimulationMachine Learning Models +20

Can machine learning identify the next high-temperature superconductor? Examining extrapolation performance for materials discovery

Bryce Meredig, Erin Antono, Carena Church, +9

Molecular Systems Design & Engineering

Superconducting MaterialEngineeringMachine LearningMachine Learning ToolData Science +20

A machine learning approach for engineering bulk metallic glass alloys

Logan Ward, Stephanie Chan O׳Keeffe, Joseph Stevick, +3

Acta Materialia

Materials ScienceEngineeringMachine LearningPhysic Aware Machine LearningMachine Learning Approach +7

14 examples of how LLMs can transform materials science and chemistry: a reflection on a large language model hackathon

Kevin Maik Jablonka, Qianxiang Ai, Alexander Al‐Feghali, +49

Digital Discovery

Materials ScienceLarge Language ModelsNatural Language ProcessingMolecular SciencesEngineering +10

A data ecosystem to support machine learning in materials science

Ben Blaiszik, Logan Ward, Marcus Schwarting, +5

MRS Communications

Artificial IntelligenceEngineeringMachine LearningData ScienceData Mining +7

Feature engineering for machine learning enabled early prediction of battery lifetime

Noah H. Paulson, Joseph Kubal, Logan Ward, +3

Journal of Power Sources

EngineeringMachine LearningData ScienceEnergy ManagementPattern Recognition +11