Daniel Devore, Ph.D.

Computational Chemist, Postdoctoral researcher in Matthews Group at Southern Methodist University.

[Daniel Devore, Ph.D. @Daniel_Devore97]

I’m pleased to share our newest publication on #HalogenBond with graphitic carbon nitride derivatives at @PCCP
https://t.co/sy4lt15WRC

[Sebastian Kozuch Comp Chem @KozuchSebastian]

What the hell is a Chemical Bond? This is the Hard Problem of Chemistry, the fact that we cannot define our main Paradigm.
As obvious as it sounds, there's no answer to this. And it's unethical not to teach that.
My most controversial article, up to now😉
https://t.co/eNNj8zMGlQ

[Chemistry Europe @ChemEurope]

#ChemPhysChem Illuminating the Performance of Electron Withdrawing Groups in Halogen Bonding (Kevin L. Shuford and co-workers) @Daniel_Devore97, @tlelling, @BaylorCBC #openaccess https://t.co/nxnv0mmKDK

[Machine Learning in Chemistry @ML_Chem]

Data and Molecular Fingerprint-Driven Machine Learning Approaches to Halogen Bonding #machinelearning #compchem https://t.co/mVznlb6Qcu

[Daniel Devore, Ph.D. @Daniel_Devore97]

Check out our latest publication on predicting halogen bonds through machine learning, where we predict the molecular and complex properties of halogen bond donors and complexes by molecular fingerprints and DFT data @JCIM_JCTC @BaylorCBC

https://t.co/59xyDdqaKb

[Daniel Devore, Ph.D. @Daniel_Devore97]

I am proud to have represented @BaylorCBC and @SMU_Chemistry while presenting my work on #halogenbonds through #MachineLearning at the @swrmacs conference in Waco, Texas today

[Daniel Devore, Ph.D. @Daniel_Devore97]

Come see my talk on “Predicting halogen bond properties through machine learning”on Tuesday at 11:20 @swrmacs in Waco

[Daniel Devore, Ph.D. @Daniel_Devore97]

Check out our newly accepted article on how electron-withdrawing groups affect halogen bond formation published on @ChemPhysChem @BaylorCBC #halogenbonds #Chemistry

https://t.co/plE9Ozt4tl

[Baylor Chemistry @BaylorCBC]

Southwest Regional Meeting of the American Chemical Society. October 20-23 2024 in Waco, TX.
Join us at #SWRM2024. https://t.co/eAwJQNBzeL

[Daniel Devore, Ph.D. @Daniel_Devore97]

I am excited to announce that I have started a postdoctoral position in the Matthews group @SMU_Chemistry @SMU

[Daniel Devore, Ph.D. @Daniel_Devore97]

I am proud to announce that I have successfully defended my Doctoral Dissertation! #BaylorChemistry

[Baylor Chemistry @BaylorCBC]

2023-24 Outstanding Graduate Research Productivity Awards. Congratulations Kanika Vashisth, Daniel Devore, Darren Gass, Malisha Welikala, & Alexandra Lubaev!
@baylorgraduate @Trakselis @Liela_Romero @MartinGroupBU

[Daniel Devore, Ph.D. @Daniel_Devore97]

I’m proud to have represented @Baylor and @BaylorCBC at the #ACSSpring2024 conference by presenting my work on the catalytic reduction of CO2 with halogen bonds

[Daniel Devore, Ph.D. @Daniel_Devore97]

I’m excited to be able to present my work on computationally modeling CO2 reduction through halogen bonding at the #ACSSpring2024 conference today

[The Journal of Physical Chemistry @JPhysChem]

A statistical investigation into the effects of electron donating groups on halogen bond donors and their corresponding complexes with ammonia. @BaylorCBC @Daniel_Devore97 @tlelling
https://t.co/McgberFTjF

[Daniel Devore, Ph.D. @Daniel_Devore97]

Happy to share our work in ⁦@JPhysChem⁩ on finding the effects of electron donating groups on halogen bonding https://t.co/Dz5CBoV0B4

[Daniel Devore, Ph.D. @Daniel_Devore97]

Hey #swrm2023 come check out my poster on Halogen bonding for molecular recognition purposes

[Daniel Devore, Ph.D. @Daniel_Devore97]

@gagliardi8 This work also shows a way to exploit the amphoteric nature of halogen bonds to form stronger interactions in materials.

[Daniel Devore, Ph.D. @Daniel_Devore97]

Check out this #RSCPoster on the #halogenbond titled, "Bounding onto the Trampoline of Halogen Bonds with Graphitic Carbon Nitride" #RSCDigital #RSCMat #RSCPhys

[Daniel Devore, Ph.D. @Daniel_Devore97]

@gagliardi8 Thank for you the question. I think this work provides a different view on how we think about halogen bond. XB studies have primarily been focused on 1:1 XB donor:acceptor interactions, however as seen in the poster, there are other regions for XB or other NCIs in some materials.