Ajay Khanna

Hi, I'm a Cur!ous Quanta and a surviving grad student. I usually remain on the ground state but sometimes found wandering on the excited PES. Comp. Chem.

[Ajay Khanna @Samdig]

@dr_alphalyrae MLCM-26: https://t.co/v3npX7mqes

[Ajay Khanna @Samdig]

@NVIDIAGeForceUK PRAGMATA RTX

[Ajay Khanna @Samdig]

🎆 Happy New Year 2026! 🎆

New in @NanoLetters: How covalent tethering controls excitonic interactions in PDI trimers. Twist angles dominate electronic coupling!

🔗 https://t.co/eX7ayicpIV

Thanks to coauthors, @LANLab, CINT & reviewers! 🙏

#CompChemistry #OrgElectronics

[Jean-Philip Piquemal @jppiquem]

#compchem #machinelearning #quantumcomputing
We have several open positions and we are looking for:
- 2 postdocs in machine learning to work on foundation models (theoretical developments)
- 1 HPC engineer to work on quantum computing
- 1 HPC engineer in the framework of ab initio computations and QM/MM
Reach to me for more details. Please RT.

[Ajay Khanna @Samdig]

@StephaneRedon Yes! Yes!..Thank you so much..Truly appreciate it...

[Prof. Bryan M. Wong @BryanMWong]

I have a postdoc opening in my group on time-dependent DFT, quantum dynamics, and electron scattering. For more details on the project, see: https://t.co/1kTe5fwkyA
Any help to spread the opportunity by re-posting is appreciated↩️
#CompChem #CompChemJobs #chempostdoc #DFT #TDDFT

[Hrant P. Hratchian @hphratchian.bsky.social @hphratchian]

📣 @ucmerced is hiring!

We’re seeking a visionary leader to serve as Dean of the School of Natural Sciences—an exciting opportunity to lead a vibrant academic community on an impact-driven campus. @UCMerced_NatSci

🔗 https://t.co/exNBjQNWWZ

[Daniel Tabor @danielptabor]

Our group is currently looking for a #compchem #postdoc to start in Fall 2025. Primary area of research will be with the NSF Center for the Mechanical Control of Chemistry (CMCC), with second focus in organic materials/molecular design. More info at: https://t.co/DxMPlPmq2v

[Daniel Bím @bim_daniel]

Join our group at @VSCHT Prague! Looking for a postdoc/PhD student to explore transition-metal photoredox catalysis through interdisciplinary research.

A funded position is available. We also welcome candidates interested in applying for individual fellowships.

Please RT!

[Abhishek Sirohiwal @ab_sirohiwal]

My group is looking for a postdoctoral fellow through the IISc Postdoctoral Fellowship scheme. If you're excited about working at the interface of chemistry and biochemistry, and enjoy high-end computational techniques, feel free to reach out! https://t.co/0WpbCrMoRY

[Zoe Cournia @zoecournia]

Please RT!
I have 2 postdoctoral positions in my lab @BRFAA_IIBEAA to work on MD sims for protein allostery, cryptic pocket identification, CADD/FEP. Knowledge in coarse-grained MD is a plus.
More info: https://t.co/N4nEbXAK2h.

Send me an email with your CV if interested!

[Ajay Khanna @Samdig]

@StephaneRedon Yes!..Yes!..Yes!

[Prof. Bryan M. Wong @BryanMWong]

I have a postdoc opening in my group on time-dependent DFT, quantum dynamics, and electron scattering. For more details on the project, see: https://t.co/jHG1qP2g0f

Any help to spread the opportunity by re-posting is appreciated↩️
#CompChem #CompChemJobs #chempostdoc #DFT #TDDFT

[Pavlo Dral @PavloDral]

Hiring! https://t.co/hxhA1Auobc

[Ajay Khanna @Samdig]

I'm excited to share that I've completed my Ph.D. in Computational Chemistry from @ucmerced!

I have joined @LosAlamosNatLab as a #Postdoc to continue exploring cutting-edge research. I deeply thank my mentors and colleagues for their invaluable support. #CompChem

[Ahmed Alaa @_ahmedmalaa]

📢 Please retweet: We're recruiting PhD students at UC Berkeley and UCSF!

Please apply if you are interests in machine learning for healthcare, statistics, causal inference, or medical vision-language models.

For more details, check  out this link: https://t.co/3nPu1RNdcB

[Rommie Amaro @RommieAmaro]

🚨 @ucsdbiosciences hiring in the broadly defined area of Computational Molecular Biology - join us!

https://t.co/vV7Qd3zcev

(first review deadline: 1 Dec 2024)

[Nick Mayhall @nick_mayhall]

We have a postdoctoral opening in our group, working on either QIS-inspired electronic structure theory, open quantum systems in chemistry, or near term quantum algorithms. Email me your CV and research interests if interested!

[Stephane Redon @StephaneRedon]

Do you have a master in computer science, computational chemistry or computational biology ? We have a fully funded PhD position opening to develop ML-based pKa prediction methods ! Science Twitter (X?), could you please help us spread the word ?

[Ajay Khanna @Samdig]

@cd_sherrill Congratulations 👏 🎊 💐 Dr. Sherrill