RT @iiscbangalore: We invite applications for the newly created IISc Post-Doctoral Fellowships (IPDF) from motivated individuals with an es….

RT @comp_flu: Call for Abstracts: #compflu2025.Submit your abstract now and embark on an exhilarating scientific journey into the fascinati….

RT @ANRFIndia: 📢 Important Update | Deadline Extended…. For convenience of our research fraternity, Call for Proposals under ANRF’s Advance….

We are grateful to the National Supercomputing Mission (NSM) @IndiaDST @GoI_MeitY for funding this work, back in 2021.

The study was led by Sayan Bhowmik, a former MTech student, who is now a PhD candidate at @GeorgiaTech. Although Sayan graduated way back in 2022, we kept working on this problem, and finally, our study has seen the light of day.

Our work combines quantum-mechanical density functional theory (#DFT) calculations, kinetic Monte Carlo (#KMC) simulations, a novel atomic fingerprinting scheme for defective MoS2, and chemical graph theory to address the cataloging of nanopores in MoS2.

This work builds on our previous study from 2023 in @JPhysChem C, wherein we showed that the MoS6 vacancy defect acts as a nucleation center for the formation of larger nanopores in MoS2:.

Our latest from @chemengiisc is now out in #Small! We show how size and chemical environment control nanopore geometry in MoS2, changing pores from irregular to triangular. #2DMaterials #MaterialsModeling #DefectEngineering. @iiscbangalore @WileyGlobal.

RT @ManasSharma07: Now calculate vibrational modes of a molecule with UMA OMol on MLIP Playground

Happy to share my upcoming @nptel_official video course titled "Machine Learning for Core Engineering Disciplines", which starts in July. 👉 Course link on NPTEL: 📺 Video playlist on YouTube: @chemengiisc @iiscbangalore.

RT @VPolshettiwar: Announcing the CO₂India–RSC Best PhD Thesis Award (2025)!. # 3 Awards in CO₂ Capture, Conversion & Storage.# ₹50,000 cas….

RT @comp_flu: We’re pleased to share that CompFlu 2025 will be held at IISc Bangalore from December 13–17, 2025. The pre-conference worksho….

Delighted to share that Prof. @AlexSchlaich & I have received the Paired Early Career Fellowship in Applied Research to foster collaborations between our groups at @iiscbangalore & @TUHamburg. Looking forward to the upcoming visits to India and Germany. @chemengiisc @INDOGSTC.

RT @NatComputSci: An accompanying News & Views by Narendra Dixit is also available for this paper! @iiscbangalore .

RT @ManasSharma07: Orb-v3 is now live on the MLIP Playground. If you're interested in testing and comparing Orb-v3 with universal MLIPs fro….

The @PCCP Symposium on Physics for Sustainability: Health, Energy, and Environment (SPHERE) will be held at @iiscbangalore from 16-18 October 2025. Abstracts for oral and poster presentations are being accepted on the conference website at @RoySocChem.

RT @ANRFIndia: 📢 #ANRFIndia Invites Applications for National Post-Doctoral Fellowship (NPDF)!. Shape your research journey with support fr….

RT @ANRFIndia: @ANRFIndia announces call for Proposals under Advanced Research Grant (ARG) and scheduled to open from June 12, 2025. The ca….

Sharing the video of my presentation on "Entropy, Energy, and Temperature in Small Systems" at the 10th Indian Statistical Physics Community Meeting @ictstifr . Paper in @ACSPublications @JPhysChem Lett: Video:

Overall, this work offers a framework for designing confined spaces to control nucleation via regulating precursor flux and for simulating reactor parameters for rapid optimization via the digital-twin model.