Nitish Govindarajan
@nitish_gov
Assistant Professor @NTUsg. Research interests: Electrochemistry, atomistic modeling, catalysis and ML.
We will soon have an opening in our group as part of a joint PhD program between NTU and Sorbonne University (36 months in SG, 12 months in Paris). Start date can be either in Jan or Aug 2026. Reach out if you're interested or know prospective candidates!
Congratulations Sudarshan! 🎉 Looking forward to working together on electrocatalysis theory!
Thank you, @CheEnggIITB! The Theoretical Electrocatalysis Group (che.iitb.ac.in/web/faculty/sv/) will focus on developing electronic structure and machine learning methods to understand electrocatalysis at the atomistic level.
Thanks Jiayu! Was great to have you visit NTU and learn about your research! :)
I had a fantastic visit today to the School of Chemistry, Chemical Engineering and Biotechnology (CCEB) at @NTUsg! Many thanks to @nitish_gov for hosting me. I appreciate the opportunity to share our research, and it was great to meet @HaoboLi4, @ZC30934713, @tejchoksi,…
Excited to share our latest releases to the FAIR Chemistry’s family of open datasets and models: OMol25 and UMA! @AIatMeta @OpenCatalyst OMol25: huggingface.co/facebook/OMol25 UMA: huggingface.co/facebook/UMA Blog: ai.meta.com/blog/meta-fair… Demo: huggingface.co/spaces/faceboo…
Our latest work on understanding cation and surface charging effects at electrified interfaces using neural network interatomic potentials is now online @ChemRxiv! chemrxiv.org/engage/chemrxi…
Thank you @NewYorker for highlighting the work from @LIFE_Boulder at @CUEngineering . It's incredibly rewarding to see our work recognized beyond academic circles and spark broader discussions. It was wonderful to speak with Rivka. Hope you will enjoy reading the piece below.
How do small spheres of cells assemble themselves into extensive and elaborate patterns of which they are only a tiny, unknowing, unthinking part? nyer.cm/p0myt5P
Looking forward to the visit of Hema Karunadasa from Stanford Chemistry to CCEB tomorrow and hearing about her latest work on halide perovskites!

In our next featured article Schwalbe-Koda, Govindarajan, and Varley present an efficient way to predict on surface coverage effects in catalysis, by exploiting high-throughput computations and neural network models. Read their open access paper for more: doi.org/10.1039/D4DD00…
The DELI Lab @NTUsg has an opening for a #PhD position starting Aug 2025 on using atomistic simulations to study non-aqueous electrocatalytic processes. We are also happy to support candidates for (several) graduate fellowships. See link below for more details!…
Excited to share OMat24 - the latest dataset to join our team's family of open datasets: OC20, OC22, ODAC23 Accelerating progress in the field should be a community effort. Without access to large, diverse datasets this becomes increasingly prohibitive. We hope OMat helps!
Introducing Meta’s Open Materials 2024 (OMat24) Dataset and Models! All under permissive open licenses for commercial and non-commercial use! Paper: arxiv.org/abs/2410.12771 Dataset: huggingface.co/datasets/fairc… Models: huggingface.co/fairchem/OMAT24 🧵1/x
Probably a good time to share this post: Our lab is looking to support talented postdoc candidates interested in applying to the Eric and Wendy Schmidt AI for Science Postdoctoral Fellowship 2024 (see link below). If you are passionate about using AI to tackle problems in energy…
Please help repost and spread the word. 🙏 My research group at @UBuffalo's Materials Design & Innovation (@UBengineering & @UBCAS) is recruiting multiple graduate students! ubwp.buffalo.edu/jiayu-peng-lab… If you are interested in combining 🤖 data science and machine learning with ⚛️…
Recommended reading: "Problems in interfacial electrochemistry that have been swept under the carpet" by Gileadi. link.springer.com/article/10.100…
Our group has an opening for a PhD position on electrocatalysis in non-aqueous solvents starting Jan 2025. Please see the link below for more details! deli-lab.org/join