Dan T Major

Major Lab for Computational Chemistry - Biological Chemistry - Material Science.
Chemistry Department, Bar-Ilan University.

[Dan T Major @DanTMajor1]

@MalachiNoked Good luck Mamta!

[Dan T Major @DanTMajor1]

RxnNet is now published in JCTC! If you work on complex mechanisms (carbocations, rearrangements, fragmentation), we’d love your feedback + use cases. RxnNet: An AI Framework for Reaction Mechanism Discovery─A Case Study of Carbocations https://t.co/znByhJS80W

[Dan T Major @DanTMajor1]

Peptide-Protein docking is challenging and often restraints can help... but how do you know what kind of restraints actually work? See our recent work in Journal of Chemical Information and Modeling https://t.co/UONEGdf0tm

[Dan T Major @DanTMajor1]

@AshrafBrik @anatmilo @MiloSgroup @Chem_BGU @bengurionu @ERC_Research Mazal tov, Anat!

[Dan T Major @DanTMajor1]

In electrolyte redox: Solvation shells matter. Ensemble averaging matters. Relaxation matters.
Excited to share!
Predicting Electrolyte Redox Potential Trends through Long-Range Electrostatics and Configuration Ensembles. JCTC: https://t.co/GSauVA0XU2

[Dan T Major @DanTMajor1]

@goths19 @iiscmte @iiscbangalore Congrats 🎈!

[Noked Lab @NokedLab]

🚀Congrats to Akanksha! 🎉
Sodium-ion batteries suffer from limited energy density. Our work shows that low-level doping in Na-deficient, Co-free high-entropy cathodes enhances TM–O covalency, stabilizes the oxygen framework & reversible anionic redox.

https://t.co/zNYoim3beb

[Malachi Noked @MalachiNoked]

Congratulations Akanksha and team 🥳 thanks @DanTMajor1 for the collaboration Published in Materials Today.

[Michal Leskes @michal_leskes]

New paper alert🧲🔋Sensitive Detection of Dendritic Lithium Morphologies by Dynamic Nuclear Polarization | The Journal of Physical Chemistry Letters https://t.co/2F057r6lwv
Congratulations to Nadav and @ayanmaity94 👏👏👑

[Dan T Major @DanTMajor1]

@EisenbergEchem @TomerBurshtein Nice work, congrats!🎈

[Dan T Major @DanTMajor1]

@barak_hirshberg @AmerChemSociety @ACSCOMP @OpenEyeSoftware @bobbypaton @zoecournia @JoshVermaas @chemistrytau @BioSoftTAU Congrats 🎉🎊 🍾

[Dan T Major @DanTMajor1]

@barak_hirshberg @NatureComms @OfirBlumer Nice work, congrats!!🎊

[Menny Shalom Group @at_bgu]

Happy to share our last work using a chemical cascade to produce hydrogen under light. It was a pleasure to collaborate with @TheorHetCatICIQ and @lmgLab groups! @J_A_C_S @MichaelVolokh @ERC_Research https://t.co/HuJHcpF735

[Dan T Major @DanTMajor1]

See the cover! @ACSPublications #MyACSCover
Doping Strategies in Ni-Rich NCM Cathode Materials for Next-Generation Li-Ion Batteries: A Systematic Computational Study | ACS Applied Energy Materials https://t.co/A5AOWw6Mm0

[Dan T Major @DanTMajor1]

@Aromaticist Congratulations!!!

[Dan T Major @DanTMajor1]

Excited to share our recent work on Doping Strategies in Ni-Rich NCM Cathode Materials for Next-Generation Li-Ion Batteries: A Systematic Computational Study | ACS Applied Energy Materials https://t.co/DR3PyJD0rO

[Dan T Major @DanTMajor1]

@brknanda @PhysRevB Nice!

[Dan T Major @DanTMajor1]

@Lab_initio @UniNewEngland Congratulations 🎊🍾🎉

[Frank Noe @FrankNoeBerlin]

BioEmu now published in @ScienceMagazine !!

What is BioEmu? Check out this video:
https://t.co/PAj96iKvR7

[Dan T Major @DanTMajor1]

@Lab_initio I tried this out and it’s super useful. You should try it as well!