Hamas demonstrates superior magnetoresistance of high-spin donor-acceptor conjugated polymers in Advanced Materials.

Qiyuan details cheap and deep exploration of glucose pyrolysis reaction network in PNAS

'Lin'credible thesis defense! 🐆 Congratuations Dr. Zih-Yu Lin.

Aditi bridges the gap between regular ML and physics based CGMD potentials through Δ-learning in JCP

Qiyuan improves reaction activation barrier prediction via Δ²-learning in RSC Chem Sci.

Lin and Stephen expand the space of stable 2-d optoelectronic perovskites using MD + ML in Angewandte Chemie.

Ying demonstrates ehanced charge transport in nonconjugated materials through incorporation of TEMPO radicals in ACS Nano Lett.

Ying presents a detailed QM study on bridging the monomer - polyer gap in ACS Macro Lett.

Jack presents a major breakthrough towards the unification of molecular mobility in Arrhenian and super-cooled regions in JCP

Congratulations Dr. Ying Tan. What a 'radical' defense 🎊

Qiyuan is now Dr. Qiyuan Zhao. XP++. Congratulations 🎉

Bumjoon (+ Diao group) present chain engineering to control rare cooperative transitions for organic semiconductors in Nature Commun.

Largest and most chemically diverse open-source transition state dataset to date presented in Nature Sci. Data

Exploration of prebiotic chemical pathways from water and hydrogen cyanide appears in JACS

Bumjoon presents rational parametrization of transferable and accurate MD force fields in JCIM.

Lin (+ Dou group) improve perovskite LEDs via phase disproportionation suppression in Nature Commun.

Qiyuan's work on YARP 2.0 with major improvements to speed and accuracy appears in Angewandte Chemie.

Qiyuan presents the extention of YARP to heterogeneous catalytic systems in Nature Commun.

Hello world, welcome Dr. Aditi Khot. Congratulations 🥳

Nick extends his chemical autoencoder work with active learning for inverse molecular design in JPC

Aditi's pioneering study on side-chain design for mixed conducting polymers appears in J. Polym. Sci.

Ying's perspective on the current state and future outlook of open-shell macromolecules appears in JACS

Yet Another Reaction Program (YARP) appears with major speedups in Nature Computational Science

What makes a good radical for charge transport? Ying's answer appears in JACS

Savoie wins Office of Naval Research (ONR) Young Investigator Award

Aditi's generic coarse-grained model of mixed conducting polymers appears in Macromolecules

Halide diffusion study in collaboration with the Dou group featured in Nature Nanotechnology

Department of Defense awards Savoie-led team with MURI Funding for research into degredation pathways

Savoie wins funding from National Science Foundation to study decomposition of battery electrolytes

Dreyfus Foundation honors Savoie with inaugural Machine Learning Award

Two-dimensional halide perovskite heterostructures in Nature

Linear autoencoders for improved transfer learning in JPC

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

Component Increment Theory for Predicting Enthalpy of Formation in JCIM.

Alex Hale wins award for Best Undergraduate Presentation

Hybrid Perovskite Quantum Wells in Nature Chemistry

Jack snags Centennial Award for Outstanding First-Year Graduate Student

Savoie awarded ACS Petroleum Research Funding for work in plastic semiconductors

Savoie wins ORAU Ralph E. Powe Award

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

Transfer learning for data-scarce property prediction in JPC

High-temperature semi-conducting polymers in Science

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

Fluoride battery breakthrough published in Science

NPR highlights Mi-Bio and PTEO work

Boudouris and Savoie publish on radical polymer breakthrough in Science

Graduate student Nicolae Iovanac wins NSF-GRFP