Ajay Khanna

🎆 Happy New Year 2026! 🎆 New in @NanoLetters: How covalent tethering controls excitonic interactions in PDI trimers. Twist angles dominate electronic coupling! 🔗 doi.org/10.1021/acs.na… Thanks to coauthors, @LANLab, CINT & reviewers! 🙏 #CompChemistry #OrgElectronics

#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.

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

🎉🎉🎉 Today, we have a huge announcement to make: SAMSON is now free for non-commercial use! This includes all extensions for docking, simulating, animating, scripting, and much, much more. Precisely, we are making the entire SAMSON molecular design platform - SAMSON + every SAMSON Extension on SAMSON Connect - free for non-commercial use. This means you can now use SAMSON at no cost in academic and nonprofit settings for: - Education (teachers, students, classrooms) - Academic & publicly funded research - Personal projects (no revenue, no paid consulting) If this is your case, you can activate your free non-commercial license yourself when you sign up at samson-connect.net. This will grant you a free Expert plan and make all SAMSON Extensions free to add on SAMSON Connect. (as you may know, most features run locally, but some optional calculations run in the cloud, such as structure prediction and cloud simulations - these require computing credits). When your work involves paid services, consulting, product development, or commercial R&D, just visit the Pricing page and select one of the commercial plans. You can later revert to non-commercial use. If you are unsure whether you are eligible to a free non-commercial license, please just contact us and we'll work it out with you. Of course, feel free to share the news with your friends, students, and colleagues (and everyone else 😊). #SAMSON #Community

I have a postdoc opening in my group on time-dependent DFT, quantum dynamics, and electron scattering. For more details on the project, see: tinyurl.com/yc3kae89 Any help to spread the opportunity by re-posting is appreciated↩️ #CompChem #CompChemJobs #chempostdoc #DFT #TDDFT

📣 @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 🔗 aprecruit.ucmerced.edu/JPF02013

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: dtaborgroup.com/openings/

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!

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! iisc.ac.in/careers/post-d…

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: linkedin.com/hiring/jobs/42…. Send me an email with your CV if interested!

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

Coming up in SAMSON, the new Interaction Designer lets you create and edit interaction diagrams and molecules in 2D! This has been a long time coming, but we're super excited and proud to finally release this!

I have a postdoc opening in my group on time-dependent DFT, quantum dynamics, and electron scattering. For more details on the project, see: tinyurl.com/mwt6zurk Any help to spread the opportunity by re-posting is appreciated↩️ #CompChem #CompChemJobs #chempostdoc #DFT #TDDFT

Hiring! dr-dral.com/postdoc202501/

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

📢 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: forms.gle/9fbEw48Wqopdfe…

🚨 @ucsdbiosciences hiring in the broadly defined area of Computational Molecular Biology - join us! apol-recruit.ucsd.edu/JPF04110 (first review deadline: 1 Dec 2024)

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!

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 ?

@cd_sherrill Congratulations 👏 🎊 💐 Dr. Sherrill

Very honored to be elected as a member of the International Academy of Quantum Molecular Science iaqms.org/news.php

We are hiring multiple graduate students! ! ! Please help us distribute. If you have any one interested in computational heterogeneous catalysis, please recommend him/her to fanglin_che@uml.edu. sites.uml.edu/fanglin_che/re…

Looking for a postdoc to work in my group at Department of Chemistry, Shiv Nadar IoE Delhi-NCR. Good organic synthetic skills. Polymer chemistry and characterisation is a plus. Reach me out at bimlesh.lochab@snu.edu.in