Purdue University

Materials Discovery and Characterization

using machine-learning and high-throughput simulations

Research

More details on methods developments and applications in the group.

Research

People

Please check out people page for a description of our team.

People

Publications

Check out our publications page for a list of recent publications.

Publications

Group News

Nature Logo

Two-dimensional halide perovskite heterostructures in Nature

jpc logo

Linear autoencoders for improved transfer learning in JPC

aml logo

Advances and Opportunities for Mixed Ion and Charge Conducting Polymers in ACS Macro Lett.

jcim logo

Component Increment Theory for Predicting Enthalpy of Formation in JCIM.

Hale Award

Alex Hale wins award for Best Undergraduate Presentation

Nature Chem

Hybrid Perovskite Quantum Wells in Nature Chemistry

Centennial Award

Jack snags Centennial Award for Outstanding First-Year Graduate Student

ORAU Logo

Savoie wins ORAU Ralph E. Powe Award

Poster Award

Aditi and Jack win top-poster prizes at ND-Purdue Soft Matter Symposium

jpc logo

Transfer learning for data-scarce property prediction in JPC

science cover

High-temperature semi-conducting polymers in Science

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PTEO radical polymer named a "Molecule of the Year" C&EN

science cover

Fluoride battery breakthrough published in Science

NPR Logo

NPR highlights Mi-Bio and PTEO work

Science Logo

Boudouris and Savoie publish on radical polymer breakthrough in Science

GRFP Logo

Graduate student Nicolae Iovanac wins NSF-GRFP