Nitish Govindarajan
Assistant Professor at NTU Singapore. Research interests: Electrochemistry, Catalysis, Atomistic simulations and ML.
deli-lab.org
- Checkout our latest work on the "overlooked role of adsorption isotherms in electrocatalysis" where we highlight the challenges and opportunities in understanding electrochemical isotherms!
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- Excited to share the OC25 dataset and models for solid-liquid interfaces! Great fun working on this project! We hope OC25 will accelerate the modeling of interfaces and are looking forward to feedback from the community! Paper: arxiv.org/abs/2509.17862 Dataset+Models: huggingface.co/facebook/OC25
- Our article is on the front cover of the latest issue @acs.org Energy Letters!
- Checkout our latest article on "The intricacies of computational electrochemistry"! It summarizes a lot of discussions from a @lorentzcenter.bsky.social workshop we organized last year. We hope this article offers valuable insights for both newcomers and experts in this exciting field!
- Currently the #1 most read article in ACS Energy Letters @acs.org :) pubs.acs.org/action/showM...
- Checkout our latest article on "The intricacies of computational electrochemistry"! It summarizes a lot of discussions from a @lorentzcenter.bsky.social workshop we organized last year. We hope this article offers valuable insights for both newcomers and experts in this exciting field!
- Reposted by Nitish Govindarajan[Not loaded yet]
- Checkout our latest article on "The intricacies of computational electrochemistry"! It summarizes a lot of discussions from a @lorentzcenter.bsky.social workshop we organized last year. We hope this article offers valuable insights for both newcomers and experts in this exciting field!
- The Intricacies of Computational Electrochemistry | ACS Energy Letters Computational electrochemistry is hard. The reasons for its complexity lie not only in the multiscale nature of electrochemical processes but also in the rapid, ongoing method development pubs.acs.org/doi/10.1021/...
- Reposted by Nitish Govindarajan[Not loaded yet]
- If you're working at the intersection of data science, ML and catalysis, consider submitting an abstract to the AIChE annual meeting in Boston this year! #AIChE2025
- Our recent work with LLNL and Berkeley Lab/UC Berkeley on understanding the unique reactivity of Cu for electrochemical CO2 conversion with a three site model is now online in JPC Letters! pubs.acs.org/doi/abs/10.1...
- Reposted by Nitish Govindarajan[Not loaded yet]
