Savoie Research Group

Proud to see this work finally published. This is a really exciting and flexible platform for designing circularly recyclable polymers. pubs.acs.org/doi/10.1021/ja…

Polymer single crystals are fascinating, but can they be useful? Here is one promising direction: we show in @J_A_C_S that topochemically elongated C-C bonds can serve as a foundation for future recyclable polymers! Great collaborations @SavoieLab @Jianguo_Mei @Boudouris_Group

We are happy to share our new paper published in @NatureComms! We demonstrate a successful application of our automated reaction network exploration algorithm (YARP) to a heterogeneous catalytic systems. Great collaboration with @GroupGreeley! doi.org/10.1038/s41467…

You can register here: purdue.edu/conferences/Mi…. Looking forward to seeing you all here!

We have a phenomenal list of invited speakers, including Laura Gagliardi (@gagliardi8), Gaurav Chopra (@chopralab), Yamil Colón (@YamilJColon), William Noid and Antonia Statt (@StattAntonia).

Registration is now open for the annual Midwest Thermodynamics and Statistical Mechanics (MTSM 2022) Conference to be held in person @lifeatpurdue on June 6-7. #MTSM2022

Thanks for the highlight @aplenergy! We're excited to work with guest editors Nick Jackson, @JM_Luther @SavoieLab, and Kaifeng Wu on this collection.

We are thrilled to announce that Dr. Aditi Khot from our research group has successfully defended her Ph.D! Aditi will be transitioning to her new role as a Data Scientist / Market Analyst at The Energy Authority. We wish her luck in all her future endeavors!

The @SavoieLab is using new Bell GPU nodes to predict & interpret chemical reactions. The GPUs help meet the needs of AI & machine learning researchers on campus, reducing long computation times from days to hours. 🖥️🖥️ bit.ly/savoie-bellgpu

Special Issue @JPolymSci: Semiconducting Polymers for Advanced Organic Electronics and Bioelectronics onlinelibrary.wiley.com/toc/26424169/2…

Our recent work in @JPhysChem, where we demonstrate an active learning approach to improve the performance of multi-target generative chemical models. pubs.acs.org/doi/full/10.10… #compchem #MachineLearning

Electronic and Magnetic Properties of a 3-Arm Nonconjugated Open-Shell Macromolecule By Bryan Boudouris, Brett Savoie et al @Boudouris_Group @SavoieLab @PurdueChemE Open access for all in ACS Polymers Au. Check it out here: fal.cn/3jS0o

'Improving the generative performance of chemical #autoencoders through transfer learning' by Nicolae Iovanac and @SavoieLab @PurdueChemE @Research_Purdue hits 1500 downloads! bit.ly/3nxZ5XA #compchem #MachineLearning #materials #bigdata #HPC @AFOSR @XSEDEscience

#Topology_Automated_Force_Field_Interactions (TAFFI): A Framework for Developing #Transferable_Force_Fields pubs.acs.org/doi/10.1021/ac… @xmwebb @SavoieLab #current_issue #compchem

Congrats to Ying, @ShengNingHsu, & Hamas for their radical polymers Perspective appearing online in @J_A_C_S. Another fun collaboration with Profs. @DouLetian & @SavoieLab @PurdueChemE. Electronic and Spintronic Open-Shell Macromolecules, Quo Vadis? pubs.acs.org/doi/10.1021/ja…

In a recent article, @PurdueChemE's Brett Savoie and grad student Qiyuan Zhao presented a breakthrough in a MURI project, introducing an automated computational method that marks the first step in bringing materials stability into realm of predictability. bit.ly/3czG4Qe

Room-temperature fluoride batteries make a breakthrough! Delighted to see this work from my time at Caltech with @tfmiller3 come out. Outstanding work by Tori Davis, Simon Jones (@NASAJPL) and many others science.sciencemag.org/content/362/64…

Polymer semiconductors and high Tg matrices play nice. Big congratulations to Aristide and the whole @jgmei team. Thrilled to be a part of this ongoing collaboration. science.sciencemag.org/content/362/64…

Very cool to see the radical polymer PTEO recognized as a molecule of the year by C&EN. Special congratulations to @VaradAgarkar and the @Boudouris_Group! cen.acs.org/synthesis/CENs…